4,4,5-trimethyl-5-phenylsulfanyl-cyclopent-2-en-1-one

Systemtic Name: 4,4,5-trimethyl-5-phenylsulfanyl-cyclopent-2-en-1-one Openeye Name: 4,4,5-trimethyl-5-phenylsulfanyl-cyclopent-2-en-1-one CAS Name: 4,4,5-trimethyl-5-(phenylthio)-1-cyclopent-2-enone IUPAC Name: 4,4,5-trimethyl-5-phenylsulfanylcyclopent-2-en-1-one Traditional Name: 4,4,5-trimethyl-5-(phenylthio)cyclopent-2-en-1-one Formula: C14H16OS MolecularWeight: 232.34124

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(=O)C1(C)SC2=CC=CC=C2)C

Isomeric SMILES

CC1(C=CC(=O)C1(C)SC2=CC=CC=C2)C

InChI

InChI=1S/C14H16OS/c1-13(2)10-9-12(15)14(13,3)16-11-7-5-4-6-8-11/h4-10H,1-3H3