2-[(3-methylphenyl)-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[(3-methylphenyl)-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 3-hydroxy-2-[(2-hydroxy-6-oxo-cyclohexen-1-yl)-(m-tolyl)methyl]cyclohex-2-en-1-one CAS Name: 3-hydroxy-2-[(2-hydroxy-6-oxo-1-cyclohexenyl)-(3-methylphenyl)methyl]-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-2-[(2-hydroxy-6-oxocyclohexen-1-yl)-(3-methylphenyl)methyl]cyclohex-2-en-1-one Traditional Name: 3-hydroxy-2-[(2-hydroxy-6-keto-cyclohexen-1-yl)-(m-tolyl)methyl]cyclohex-2-en-1-one Formula: C20H22O4 MolecularWeight: 326.38628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=C(CCCC2=O)O)C3=C(CCCC3=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=C(CCCC2=O)O)C3=C(CCCC3=O)O

InChI

InChI=1S/C20H22O4/c1-12-5-2-6-13(11-12)18(19-14(21)7-3-8-15(19)22)20-16(23)9-4-10-17(20)24/h2,5-6,11,18,21,23H,3-4,7-10H2,1H3