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

Systemtic Name: 5-[3,4-bis(oxidanyl)phenyl]-2-(3-phenylpropanoyl)cyclohexane-1,3-dione Openeye Name: 5-(3,4-dihydroxyphenyl)-2-(3-phenylpropanoyl)cyclohexane-1,3-dione CAS Name: 5-(3,4-dihydroxyphenyl)-2-(1-oxo-3-phenylpropyl)cyclohexane-1,3-dione IUPAC Name: 5-(3,4-dihydroxyphenyl)-2-(3-phenylpropanoyl)cyclohexane-1,3-dione Traditional Name: 5-(3,4-dihydroxyphenyl)-2-hydrocinnamoyl-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=CC=C2)C3=CC(=C(C=C3)O)O

Isomeric SMILES

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

InChI

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