2-[3-[3,4-bis(oxidanyl)phenyl]propanoyl]-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: 2-[3-[3,4-bis(oxidanyl)phenyl]propanoyl]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[3-(3,4-dihydroxyphenyl)propanoyl]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[3-(3,4-dihydroxyphenyl)-1-oxopropyl]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[3-(3,4-dihydroxyphenyl)propanoyl]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[3-(3,4-dihydroxyphenyl)propanoyl]-5-phenyl-cyclohexane-1,3-quinone Formula: C21H20O5 MolecularWeight: 352.3805

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(C1=O)C(=O)CCC2=CC(=C(C=C2)O)O)C3=CC=CC=C3

Isomeric SMILES

C1C(CC(=O)C(C1=O)C(=O)CCC2=CC(=C(C=C2)O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H20O5/c22-16-8-6-13(10-18(16)24)7-9-17(23)21-19(25)11-15(12-20(21)26)14-4-2-1-3-5-14/h1-6,8,10,15,21-22,24H,7,9,11-12H2