3-methyl-2-phenylsulfanyl-cycloheptan-1-one

Systemtic Name: 3-methyl-2-phenylsulfanyl-cycloheptan-1-one Openeye Name: 3-methyl-2-phenylsulfanyl-cycloheptanone CAS Name: 3-methyl-2-(phenylthio)-1-cycloheptanone IUPAC Name: 3-methyl-2-phenylsulfanylcycloheptan-1-one Traditional Name: 3-methyl-2-(phenylthio)cycloheptanone Formula: C14H18OS MolecularWeight: 234.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC(=O)C1SC2=CC=CC=C2

Isomeric SMILES

CC1CCCCC(=O)C1SC2=CC=CC=C2

InChI

InChI=1S/C14H18OS/c1-11-7-5-6-10-13(15)14(11)16-12-8-3-2-4-9-12/h2-4,8-9,11,14H,5-7,10H2,1H3