4-butyl-2-(4-methylphenyl)sulfanyl-5-[(E)-1-oxidanyl-3-phenyl-prop-2-enyl]cyclopent-2-en-1-one

Systemtic Name: 4-butyl-2-(4-methylphenyl)sulfanyl-5-[(E)-1-oxidanyl-3-phenyl-prop-2-enyl]cyclopent-2-en-1-one Openeye Name: 4-butyl-5-[(E)-1-hydroxy-3-phenyl-allyl]-2-(p-tolylsulfanyl)cyclopent-2-en-1-one CAS Name: 4-butyl-5-[(E)-1-hydroxy-3-phenylprop-2-enyl]-2-[(4-methylphenyl)thio]-1-cyclopent-2-enone IUPAC Name: 4-butyl-5-[(E)-1-hydroxy-3-phenylprop-2-enyl]-2-(4-methylphenyl)sulfanylcyclopent-2-en-1-one Traditional Name: 4-butyl-5-[(E)-1-hydroxy-3-phenyl-allyl]-2-(p-tolylthio)cyclopent-2-en-1-one Formula: C25H28O2S MolecularWeight: 392.55362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C=C(C(=O)C1C(C=CC2=CC=CC=C2)O)SC3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1C=C(C(=O)C1C(/C=C/C2=CC=CC=C2)O)SC3=CC=C(C=C3)C

InChI

InChI=1S/C25H28O2S/c1-3-4-10-20-17-23(28-21-14-11-18(2)12-15-21)25(27)24(20)22(26)16-13-19-8-6-5-7-9-19/h5-9,11-17,20,22,24,26H,3-4,10H2,1-2H3/b16-13+