3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-one

Systemtic Name: 3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-one Openeye Name: 3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentanone CAS Name: 3,3-dimethyl-2-[(phenylthio)methyl]-1-cyclopentanone IUPAC Name: 3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-one Traditional Name: 3,3-dimethyl-2-[(phenylthio)methyl]cyclopentanone Formula: C14H18OS MolecularWeight: 234.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C1CSC2=CC=CC=C2)C

Isomeric SMILES

CC1(CCC(=O)C1CSC2=CC=CC=C2)C

InChI

InChI=1S/C14H18OS/c1-14(2)9-8-13(15)12(14)10-16-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3