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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26O4/c1-17(2)13-20(26)23-21(27)14-22(28)25(24(23)29,15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12,14,17,27,29H,13,15-16H2,1-2H3