5-[4,4-dimethyl-1-(4-methylsulfanylphenyl)-2-oxidanyl-cyclohexa-2,5-dien-1-yl]cyclopent-2-en-1-one

Systemtic Name: 5-[4,4-dimethyl-1-(4-methylsulfanylphenyl)-2-oxidanyl-cyclohexa-2,5-dien-1-yl]cyclopent-2-en-1-one Openeye Name: 5-[2-hydroxy-4,4-dimethyl-1-(4-methylsulfanylphenyl)cyclohexa-2,5-dien-1-yl]cyclopent-2-en-1-one CAS Name: 5-[2-hydroxy-4,4-dimethyl-1-[4-(methylthio)phenyl]-1-cyclohexa-2,5-dienyl]-1-cyclopent-2-enone IUPAC Name: 5-[2-hydroxy-4,4-dimethyl-1-(4-methylsulfanylphenyl)cyclohexa-2,5-dien-1-yl]cyclopent-2-en-1-one Traditional Name: 5-[2-hydroxy-4,4-dimethyl-1-[4-(methylthio)phenyl]cyclohexa-2,5-dien-1-yl]cyclopent-2-en-1-one Formula: C20H22O2S MolecularWeight: 326.45248

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(C(=C1)O)(C2CC=CC2=O)C3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1(C=CC(C(=C1)O)(C2CC=CC2=O)C3=CC=C(C=C3)SC)C

InChI

InChI=1S/C20H22O2S/c1-19(2)11-12-20(18(22)13-19,16-5-4-6-17(16)21)14-7-9-15(23-3)10-8-14/h4,6-13,16,22H,5H2,1-3H3