5,5-dimethyl-3-(phenylsulfanylmethyl)cyclopent-2-en-1-one

Systemtic Name: 5,5-dimethyl-3-(phenylsulfanylmethyl)cyclopent-2-en-1-one Openeye Name: 5,5-dimethyl-3-(phenylsulfanylmethyl)cyclopent-2-en-1-one CAS Name: 5,5-dimethyl-3-[(phenylthio)methyl]-1-cyclopent-2-enone IUPAC Name: 5,5-dimethyl-3-(phenylsulfanylmethyl)cyclopent-2-en-1-one Traditional Name: 5,5-dimethyl-3-[(phenylthio)methyl]cyclopent-2-en-1-one Formula: C14H16OS MolecularWeight: 232.34124

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC1=O)CSC2=CC=CC=C2)C

Isomeric SMILES

CC1(CC(=CC1=O)CSC2=CC=CC=C2)C

InChI

InChI=1S/C14H16OS/c1-14(2)9-11(8-13(14)15)10-16-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3