2-[[3,4-bis(oxidanyl)phenyl]-[(4S)-2-oxidanyl-6-oxidanylidene-4-phenyl-cyclohexen-1-yl]methyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one

Systemtic Name: 2-[[3,4-bis(oxidanyl)phenyl]-[(4S)-2-oxidanyl-6-oxidanylidene-4-phenyl-cyclohexen-1-yl]methyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one Openeye Name: 2-[(3,4-dihydroxyphenyl)-[(4S)-2-hydroxy-6-oxo-4-phenyl-cyclohexen-1-yl]methyl]-3-hydroxy-5-phenyl-cyclohex-2-en-1-one CAS Name: 2-[(3,4-dihydroxyphenyl)-[(4S)-2-hydroxy-6-oxo-4-phenyl-1-cyclohexenyl]methyl]-3-hydroxy-5-phenyl-1-cyclohex-2-enone IUPAC Name: 2-[(3,4-dihydroxyphenyl)-[(4S)-2-hydroxy-6-oxo-4-phenylcyclohexen-1-yl]methyl]-3-hydroxy-5-phenylcyclohex-2-en-1-one Traditional Name: 2-[(3,4-dihydroxyphenyl)-[(4S)-2-hydroxy-6-keto-4-phenyl-cyclohexen-1-yl]methyl]-3-hydroxy-5-phenyl-cyclohex-2-en-1-one Formula: C31H28O6 MolecularWeight: 496.55042

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(=C1O)C(C2=CC(=C(C=C2)O)O)C3=C(CC(CC3=O)C4=CC=CC=C4)O)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H](CC(=O)C(=C1O)C(C2=CC(=C(C=C2)O)O)C3=C(CC(CC3=O)C4=CC=CC=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C31H28O6/c32-23-12-11-20(13-24(23)33)29(30-25(34)14-21(15-26(30)35)18-7-3-1-4-8-18)31-27(36)16-22(17-28(31)37)19-9-5-2-6-10-19/h1-13,21-22,29,32-34,36H,14-17H2/t21-,22?,29?/m0/s1