CAS: 7255-28-9 Molecular Formula: C6O6 Molecular Weight (g/mol): 168.06 MDL Number: MFCD00001652,MFCD00149074 InChI Key: PKRGYJHUXHCUCN-UHFFFAOYSA-N Synonym: cyclohexane-hexone, octahydrate, hexaoxocyclohexaneoctahydrate, hexaoxocyclohexane, trichinoyl, unii-7zr8062lfd, hexaketocyclohexane, cyclohexanehexaone, cyclohexane-1,2,3,4,5,6-hexaone, triquinoyl, cyclohexanehexone PubChem CID: 68240 IUPAC Name: cyclohexane-1,2,3,4,5,6-hexone SMILES: O=C1C(=O)C(=O)C(=O)C(=O)C1=O

CAS: 2051-95-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00002792 InChI Key: KMQLIDDEQAJAGJ-UHFFFAOYSA-N Synonym: 4-phenyl-4-oxobutyric acid, propionic acid, 3-benzoyl, 3-benzoylpropionicacid, benzenebutanoic acid, .gamma.-oxo, propanoic acid, 3-benzoyl, benzoylpropionic acid, beta-benzoylpropionic acid, 3-benzoylpropanoic acid, 4-oxo-4-phenylbutyric acid, 3-benzoylpropionic acid PubChem CID: 72871 ChEBI: CHEBI:64437 IUPAC Name: 4-oxo-4-phenylbutanoic acid SMILES: OC(=O)CCC(=O)C1=CC=CC=C1

CAS: 38861-78-8 Molecular Formula: C₁₂H₁₆O Molecular Weight (g/mol): 176.26 InChI Key: KEAGRYYGYWZVPC-UHFFFAOYSA-N Synonym: unii-aml715rd20, 1-4-2-methylpropyl phenyl ethanone, acetophenone, 4-isobutyl, 1-4-2-methylpropyl phenyl ethan-1-one, ethanone, 1-4-2-methylpropyl phenyl, p-isobutylacetophenone, 1-4-isobutylphenyl ethanone, p-iso-butylacetophenone, 4-isobutylacetophenone, 4'-isobutylacetophenone PubChem CID: 93214 IUPAC Name: 1-[4-(2-methylpropyl)phenyl]ethanone SMILES: CC(C)CC1=CC=C(C=C1)C(=O)C

CAS: 1192-62-7 Molecular Formula: C6H6O2 Molecular Weight (g/mol): 110.112 MDL Number: MFCD00003242 InChI Key: IEMMBWWQXVXBEU-UHFFFAOYSA-N Synonym: ethanone, 1-2-furanyl, ketone, 2-furyl methyl, 2-acetyl furan, 2-furylethanone, 1-2-furyl ethanone, methyl 2-furyl ketone, 2-furyl methyl ketone, 1-furan-2-yl ethanone, acetylfuran, 2-acetylfuran PubChem CID: 14505 ChEBI: CHEBI:59983 IUPAC Name: 1-(furan-2-yl)ethanone SMILES: CC(=O)C1=CC=CO1

CAS: 303-98-0 Molecular Formula: C59H90O4 Molecular Weight (g/mol): 863.37 MDL Number: MFCD00042919 InChI Key: ACTIUHUUMQJHFO-UPTCCGCDSA-N Synonym: emitolon, neuquinone, justquinon, ubiquinone, neuquinon, ubiquinone-10, coq10, ubiquinone 50, ubidecarenone, coenzyme q10 PubChem CID: 5281915 ChEBI: CHEBI:46245 SMILES: COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O

CAS: 930-68-7 Molecular Formula: C6H8O Molecular Weight (g/mol): 96.13 MDL Number: MFCD00001577 InChI Key: FWFSEYBSWVRWGL-UHFFFAOYSA-N Synonym: 2-cyclohexene-1-one, 2-cyclohexenone-1, cyclohexen-1-one, cyclohexen-3-one, 1-cyclohexen-3-one, 3-oxocyclohexene, cyclohexenone, 2-cyclohexenone, cyclohex-2-enone, 2-cyclohexen-1-one PubChem CID: 13594 ChEBI: CHEBI:15977 IUPAC Name: cyclohex-2-en-1-one SMILES: O=C1CCCC=C1

CAS: 1191-95-3 Molecular Formula: C4H6O Molecular Weight (g/mol): 70.09 MDL Number: MFCD00001332 InChI Key: SHQSVMDWKBRBGB-UHFFFAOYSA-N Synonym: pubchem9021, cyclobutanone, 1-oxocyclobutane, 3-cyclobutanone, cylobutanone, cylcobutanone, cyclobutanon, cyclobutanone, 98+%, cyclobutyloxy, unii-6pf2sh405u PubChem CID: 14496 IUPAC Name: cyclobutanone SMILES: O=C1CCC1

CAS: 116-09-6 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.079 MDL Number: MFCD00004669 InChI Key: XLSMFKSTNGKWQX-UHFFFAOYSA-N Synonym: 2-oxopropanol, acetylcarbinol, acetylmethanol, methanol, acetyl, 1-hydroxyacetone, 2-propanone, 1-hydroxy, 1-hydroxy-2-propanone, acetone alcohol, acetol, hydroxyacetone PubChem CID: 8299 ChEBI: CHEBI:27957 IUPAC Name: 1-hydroxypropan-2-one SMILES: CC(=O)CO

CAS: 23302-83-2 Molecular Formula: C14H13NO Molecular Weight (g/mol): 211.26 MDL Number: MFCD00010099 InChI Key: DBOHWMPKJCJANT-UHFFFAOYSA-N Synonym: 4-2-1-methyl-4-pyridylidene ethylidene cyclohexa-2,5-dien-1-one, 4-2-1-methylpyridin-4-ylidene ethylidene cyclohexa-2,5-die, 1-methyl-4-e-4-oxylatostyryl pyridinium, 1-methyl-4-4-oxylatostyryl pyridinium, brooker/'s merocyanine, 2,5-cyclohexadien-1-one,4-2-1-methyl-4 1h-pyridinylidene ethylidene, 4-2-1-methylpyridin-4-ylidene ethylidene cyclohexa-2,5-dien-1-one, 4-2-1-methylpyridin-4 1h-ylidene ethylidene cyclohexa-2,5-dien-1-one, brooker's merocyanine PubChem CID: 258436 IUPAC Name: 4-[2-(1-methylpyridin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one SMILES: CN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1

CAS: 4940-11-8 Molecular Formula: C₇H₈O₃ Molecular Weight (g/mol): 140.14

CAS: 22202-68-2 Molecular Formula: C₅H₅NaO₅ Molecular Weight (g/mol): 168.08 InChI Key: MOTOGHHLNTXPTI-UHFFFAOYSA-M Synonym: sodium 4-carboxy-4-oxobutanoate, 2-oxoglutaric acid 1-sodium salt, alpha-ketoglutaric acid, sodium salt, glutaric acid, 2-oxo-, sodium salt, 2-oxoglutaric acid, sodium salt, 2-ketoglutaric acid monosodium salt, pentanedioic acid, 2-oxo-, sodium salt 1:?, pentanedioic acid, 2-oxo-, sodium salt, sodium hydrogen 2-oxoglutarate PubChem CID: 23672314 IUPAC Name: sodium;5-hydroxy-4,5-dioxopentanoate SMILES: C(CC(=O)[O-])C(=O)C(=O)O.[Na+]

CAS: 98-86-2 MDL Number: MFCD00008724 InChI Key: KWOLFJPFCHCOCG-UHFFFAOYSA-N Synonym: acetylbenzol, 1-phenylethan-1-one, acetophenon, benzoyl methide, hypnone, ethanone, 1-phenyl, phenyl methyl ketone, acetylbenzene, methyl phenyl ketone, acetophenone PubChem CID: 7410 ChEBI: CHEBI:27632 IUPAC Name: 1-phenylethanone SMILES: CC(=O)C1=CC=CC=C1

CAS: 127-17-3 Molecular Formula: C3H4O3 Molecular Weight (g/mol): 88.06 MDL Number: MFCD00002585 InChI Key: LCTONWCANYUPML-UHFFFAOYSA-N Synonym: 2-oxopropansaeure, 2-oxo-propionic acid, propanoic acid, 2-oxo, 2-oxopropanoate, 2-ketopropionic acid, alpha-ketopropionic acid, acetylformic acid, 2-oxopropionic acid, pyroracemic acid, pyruvic acid PubChem CID: 1060 ChEBI: CHEBI:32816 IUPAC Name: 2-oxopropanoic acid SMILES: CC(=O)C(O)=O

CAS: 2478-38-8 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00008748 InChI Key: OJOBTAOGJIWAGB-UHFFFAOYSA-N Synonym: acetophenone, 4'-hydroxy-3',5'-dimethoxy, acetosyringenin, 1-4-hydroxy-3,5-dimethoxyphenyl ethan-1-one, ethanone, 1-4-hydroxy-3,5-dimethoxyphenyl, acetosyringon, 3,5-dimethoxy-4-hydroxyacetophenone, 4'-hydroxy-3',5'-dimethoxyacetophenone, 1-4-hydroxy-3,5-dimethoxyphenyl ethanone, 3',5'-dimethoxy-4'-hydroxyacetophenone, acetosyringone PubChem CID: 17198 ChEBI: CHEBI:2404 IUPAC Name: 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone SMILES: COC1=CC(=CC(OC)=C1O)C(C)=O

CAS: 72-48-0 Molecular Formula: C14H8O4 Molecular Weight (g/mol): 240.214 MDL Number: MFCD00001201 InChI Key: RGCKGOZRHPZPFP-UHFFFAOYSA-N Synonym: alizarine red, alizarina, alizarine, 1,2-anthraquinonediol, turkey red, alizarin b, 1,2-dihydroxyanthraquinone, mordant red 11, alizarin red, alizarin PubChem CID: 6293 ChEBI: CHEBI:16866 IUPAC Name: 1,2-dihydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O

CAS: 6326-79-0 Molecular Formula: C8H4BrNO2 Molecular Weight (g/mol): 226.03 MDL Number: MFCD01631138 InChI Key: HVPQMLZLINVIHW-UHFFFAOYSA-N Synonym: 6-bromo-2,3-indolinedione, 6-bromoindolin-2,3-dione, 6-bromo-1h-benzo d azolidine-2,3-dione, 6-bromo-2,3-dihydro-1h-indole-2,3-dione, 6-bromoindole-2,3-dione, 1h-indole-2,3-dione, 6-bromo, 6-bromo-isatin, 6-bromoindoline-2,3-dione, 6-bromoisatin PubChem CID: 95716 SMILES: BrC1=CC=C2C(NC(=O)C2=O)=C1

CAS: 87-88-7 Molecular Formula: C6H2Cl2O4 Molecular Weight (g/mol): 208.978 MDL Number: MFCD00001596 InChI Key: IPPWILKGXFOXHO-UHFFFAOYSA-N Synonym: p-benzoquinone, 2,5-dichloro-3,6-dihydroxy, p-quinone, 2,5-dichloro-3,6-dihydroxy, yj8l3bb7y4, 2,5-dihydroxy-3,6-dichlorobenzoquinone, 2,5-dichloro-3,6-dihydroxybenzoquinone, unii-yj8l3bb7y4, 2,5-cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy, p-chloranilic acid, 2,5-dichloro-3,6-dihydroxy-p-benzoquinone, chloranilic acid PubChem CID: 66604 IUPAC Name: 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione SMILES: C1(=C(C(=O)C(=C(C1=O)Cl)O)Cl)O

CAS: 118-71-8 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00006578 InChI Key: XPCTZQVDEJYUGT-UHFFFAOYSA-N Synonym: 4h-pyran-4-one, 3-hydroxy-2-methyl, corps praline, larixic acid, vetol, palatone, talmon, larixinic acid, 3-hydroxy-2-methyl-4h-pyran-4-one, 3-hydroxy-2-methyl-4-pyrone, maltol PubChem CID: 8369 ChEBI: CHEBI:69438 IUPAC Name: 3-hydroxy-2-methylpyran-4-one SMILES: CC1=C(O)C(=O)C=CO1

CAS: 134-81-6 Molecular Formula: C14H10O2 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00003080 InChI Key: WURBFLDFSFBTLW-UHFFFAOYSA-N Synonym: diphenyldiketon, glyoxal, diphenyl, diphenylethane-1,2-dione, 1,2-diphenylethanedione, ethanedione, diphenyl, bibenzoyl, diphenylglyoxal, dibenzoyl, diphenylethanedione, benzil PubChem CID: 8651 ChEBI: CHEBI:51507 IUPAC Name: 1,2-diphenylethane-1,2-dione SMILES: O=C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1

CAS: 19774-82-4 Molecular Formula: C₂₅H₂₉I₂NO₃·HCl Molecular Weight (g/mol): 681.77 InChI Key: ITPDYQOUSLNIHG-UHFFFAOYSA-N Synonym: angoron, rythmarone, ritmocardyl, amiodaronum hydrochloride, pacerone, nexterone, amiodar, amiodarone hcl, amiodarone hydrochloride PubChem CID: 441325 IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydrochloride SMILES: CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.Cl

CAS: 537-45-1 Molecular Formula: C₆H₂Br₂ClNO Molecular Weight (g/mol): 299.34 InChI Key: JYWKEVKEKOTYEX-UHFFFAOYSA-N Synonym: 2,6-dibromo-p-benzoquinone-4-chlorimine, 2,5-cyclohexadien-1-one, 2,6-dibromo-4-chloroimino, n-chloro-2,6-dibromoquinoneimine, 2,6-dibromoquinone chloroimine, 2,6-dibromoquinone chloroimide, 2,6-dibromoquinone chlorimide, 2,6-dibromoquinone-4-chlorimide, bqc reagent, 2,6-dibromo-4-chloroimino cyclohexa-2,5-dienone, 2,6-dibromoquinone-4-chloroimide PubChem CID: 10835 IUPAC Name: 2,6-dibromo-4-chloroiminocyclohexa-2,5-dien-1-one SMILES: C1=C(C(=O)C(=CC1=NCl)Br)Br

CAS: 886-38-4 Molecular Formula: C15H10O Molecular Weight (g/mol): 206.24 MDL Number: MFCD00001311 InChI Key: HCIBTBXNLVOFER-UHFFFAOYSA-N Synonym: unii-i7g14nw5ec, cyclopropenone, 2,3-diphenyl, 1,2-diphenylcyclopropen-3-one, 2-cyclopropen-1-one, 2,3-diphenyl, dpcp, cyclopropenone, diphenyl, 2,3-diphenylcycloprop-2-enone, 2,3-diphenylcyclopropenone, diphencyprone, diphenylcyclopropenone PubChem CID: 65057 ChEBI: CHEBI:53074 IUPAC Name: 2,3-diphenylcycloprop-2-en-1-one SMILES: O=C1C(=C1C1=CC=CC=C1)C1=CC=CC=C1

CAS: 127-17-3 Molecular Formula: C3H4O3 Molecular Weight (g/mol): 88.06 MDL Number: MFCD00002585 InChI Key: LCTONWCANYUPML-UHFFFAOYSA-N Synonym: 2-oxopropansaeure, 2-oxo-propionic acid, propanoic acid, 2-oxo, 2-oxopropanoate, 2-ketopropionic acid, alpha-ketopropionic acid, acetylformic acid, 2-oxopropionic acid, pyroracemic acid, pyruvic acid PubChem CID: 1060 ChEBI: CHEBI:32816 IUPAC Name: 2-oxopropanoic acid SMILES: CC(=O)C(O)=O

CAS: 34598-49-7 Molecular Formula: C9H7BrO Molecular Weight (g/mol): 211.058 MDL Number: MFCD00082718 InChI Key: KSONICAHAPRCMV-UHFFFAOYSA-N Synonym: 5-bromo-1-oxoindane, zlchem 204, 5-bromo indanone, 5-bromo-indanone, 1-indanone, 5-bromo, 1h-inden-1-one, 5-bromo-2,3-dihydro, 5-bromo-2,3-dihydro-1h-inden-1-one, 5-bromoindan-1-one, 5-bromoindanone, 5-bromo-1-indanone PubChem CID: 520695 IUPAC Name: 5-bromo-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C=C(C=C2)Br

CAS: 523-21-7 Molecular Formula: C6Na2O6 Molecular Weight (g/mol): 214.04 MDL Number: MFCD00001650 InChI Key: WNLGVLVRNGQRFD-UHFFFAOYSA-N Synonym: dipotassium tetraoxocyclohex-1-ene-1,2-bis olate, disodium tetraoxocyclohex-1-ene-1,2-bis olate, 3,4,5,6-tetraoxocyclohexene-1,2-diol disodium salt, disodium 3,4,5,6-tetraoxocyclohexene-1,2-diolate, rhodizonic acid, disodium salt, rhodizonic acid sodium salt, unii-9qf0329l3g, rhodizonic acid disodium salt, sodium 3,4,5,6-tetraoxocyclohex-1-ene-1,2-bis olate, sodium rhodizonate PubChem CID: 68225 IUPAC Name: disodium;3,4,5,6-tetraoxocyclohexene-1,2-diolate SMILES: [Na+].[Na+].[O-][C-]1C(=O)C(=O)C(=O)C(=O)C1=O

Salicylaldazine, MP Biomedicals, Quantity: 100g, Molecular Weight: 240.262, CAS: 959-36-4, InChI Key: SPEXYYIULCBQJR-UHFFFAOYSA-N, IUPAC Name: 6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one, Molecular Formula: C14H12N2O2, PubChem CID: 6849893

CAS: 74457-86-6 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.17 MDL Number: MFCD00042290 InChI Key: PIRRWUMTIBFCCW-UHFFFAOYSA-N Synonym: zlchem 344, ethanone, 1-2-fluoro-4-methoxyphenyl, 2-fluoro-4-methoxy-acetophenone, 2'-fluor-4'-methoxyacetophenone, 1-acetyl-2-fluoro-4-methoxybenzene, 4-acetyl-3-fluoroanisole, 1-2-fluoro-4-methoxyphenyl ethan-1-one, 1-2-fluoro-4-methoxyphenyl ethanone, 2-fluoro-4-methoxyacetophenone, 2'-fluoro-4'-methoxyacetophenone PubChem CID: 592821 IUPAC Name: 1-(2-fluoro-4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C(C)=O)C(F)=C1

CAS: 94-67-7 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00002120 InChI Key: GFCNBJDXQMZOOC-WAYWQWQTSA-N Synonym: salicylideneaminoalcohol, 2-1e-hydroxyimino methyl phenol, orihzizptztncu-vmpitwqzsa-n, orihzizptztncu-uhfffaoysa-n, e-2-hydroxybenzaldehyde oxime, 6-hydroxyamino methylidene cyclohexa-2,4-dien-1-one, 2-hydroxyimino methyl phenol, salicylaldehyde oxime, 2-hydroxybenzaldehyde oxime, salicylaldoxime PubChem CID: 6740756 IUPAC Name: 6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one SMILES: ON\C=C1\C=CC=CC1=O

CAS: 40188-45-2 Molecular Formula: C12H15NO3 Molecular Weight (g/mol): 221.26 MDL Number: MFCD00798556 InChI Key: FGWZEOPEZISTTR-UHFFFAOYSA-N Synonym: n-3-acetyl-4-hydroxyphenyl butanamid, acebutolol impurity c, 5'-butyramido-2'-hydroxyacetophenone, butanamide, n-3-acetyl-4-hydroxyphenyl, 3'-acetyl-4'-hydroxybutyranilide, unii-14qjb65r4v, ac-hophe-oh, n-3-acetyl-4-hydroxyphenyl butyramide, n-3-acetyl-4-hydroxyphenyl butanamide, 2-acetyl-4-butyramidophenol PubChem CID: 736331 IUPAC Name: N-(3-acetyl-4-hydroxyphenyl)butanamide SMILES: CCCC(=O)NC1=CC=C(O)C(=C1)C(C)=O