2-methyl-1-(1-oxidanyl-4-phenyl-cyclohexa-2,5-dien-1-yl)octan-1-one

Systemtic Name: 2-methyl-1-(1-oxidanyl-4-phenyl-cyclohexa-2,5-dien-1-yl)octan-1-one Openeye Name: 1-(1-hydroxy-4-phenyl-cyclohexa-2,5-dien-1-yl)-2-methyl-octan-1-one CAS Name: 1-(1-hydroxy-4-phenyl-1-cyclohexa-2,5-dienyl)-2-methyl-1-octanone IUPAC Name: 1-(1-hydroxy-4-phenylcyclohexa-2,5-dien-1-yl)-2-methyloctan-1-one Traditional Name: 1-(1-hydroxy-4-phenyl-cyclohexa-2,5-dien-1-yl)-2-methyl-octan-1-one Formula: C21H28O2 MolecularWeight: 312.44582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(=O)C1(C=CC(C=C1)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCC(C)C(=O)C1(C=CC(C=C1)C2=CC=CC=C2)O

InChI

InChI=1S/C21H28O2/c1-3-4-5-7-10-17(2)20(22)21(23)15-13-19(14-16-21)18-11-8-6-9-12-18/h6,8-9,11-17,19,23H,3-5,7,10H2,1-2H3