2-chloranyl-3-methyl-2-phenylsulfanyl-6-propan-2-yl-cyclohexan-1-one

Systemtic Name: 2-chloranyl-3-methyl-2-phenylsulfanyl-6-propan-2-yl-cyclohexan-1-one Openeye Name: 2-chloro-6-isopropyl-3-methyl-2-phenylsulfanyl-cyclohexanone CAS Name: 2-chloro-3-methyl-2-(phenylthio)-6-propan-2-yl-1-cyclohexanone IUPAC Name: 2-chloro-3-methyl-2-phenylsulfanyl-6-propan-2-ylcyclohexan-1-one Traditional Name: 2-chloro-6-isopropyl-3-methyl-2-(phenylthio)cyclohexanone Formula: C16H21ClOS MolecularWeight: 296.85534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)C1(SC2=CC=CC=C2)Cl)C(C)C

Isomeric SMILES

CC1CCC(C(=O)C1(SC2=CC=CC=C2)Cl)C(C)C

InChI

InChI=1S/C16H21ClOS/c1-11(2)14-10-9-12(3)16(17,15(14)18)19-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3