5,5-dimethyl-2-phenylsulfanyl-cyclopent-2-en-1-one

Systemtic Name: 5,5-dimethyl-2-phenylsulfanyl-cyclopent-2-en-1-one Openeye Name: 5,5-dimethyl-2-phenylsulfanyl-cyclopent-2-en-1-one CAS Name: 5,5-dimethyl-2-(phenylthio)-1-cyclopent-2-enone IUPAC Name: 5,5-dimethyl-2-phenylsulfanylcyclopent-2-en-1-one Traditional Name: 5,5-dimethyl-2-(phenylthio)cyclopent-2-en-1-one Formula: C13H14OS MolecularWeight: 218.31466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14OS/c1-13(2)9-8-11(12(13)14)15-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3