4-(2-methylbutanoyl)-3,5-bis(oxidanyl)-6,6-bis(phenylmethyl)cyclohexa-2,4-dien-1-one

Systemtic Name: 4-(2-methylbutanoyl)-3,5-bis(oxidanyl)-6,6-bis(phenylmethyl)cyclohexa-2,4-dien-1-one Openeye Name: 6,6-dibenzyl-3,5-dihydroxy-4-(2-methylbutanoyl)cyclohexa-2,4-dien-1-one CAS Name: 3,5-dihydroxy-4-(2-methyl-1-oxobutyl)-6,6-bis(phenylmethyl)-1-cyclohexa-2,4-dienone IUPAC Name: 6,6-dibenzyl-3,5-dihydroxy-4-(2-methylbutanoyl)cyclohexa-2,4-dien-1-one Traditional Name: 6,6-dibenzyl-3,5-dihydroxy-4-(2-methylbutanoyl)cyclohexa-2,4-dien-1-one Formula: C25H26O4 MolecularWeight: 390.47154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C1=C(C(C(=O)C=C1O)(CC2=CC=CC=C2)CC3=CC=CC=C3)O

Isomeric SMILES

CCC(C)C(=O)C1=C(C(C(=O)C=C1O)(CC2=CC=CC=C2)CC3=CC=CC=C3)O

InChI

InChI=1S/C25H26O4/c1-3-17(2)23(28)22-20(26)14-21(27)25(24(22)29,15-18-10-6-4-7-11-18)16-19-12-8-5-9-13-19/h4-14,17,26,29H,3,15-16H2,1-2H3