3-(2-methyl-1-phenylsulfanyl-propyl)cyclohexan-1-one

Systemtic Name: 3-(2-methyl-1-phenylsulfanyl-propyl)cyclohexan-1-one Openeye Name: 3-(2-methyl-1-phenylsulfanyl-propyl)cyclohexanone CAS Name: 3-[2-methyl-1-(phenylthio)propyl]-1-cyclohexanone IUPAC Name: 3-(2-methyl-1-phenylsulfanylpropyl)cyclohexan-1-one Traditional Name: 3-[2-methyl-1-(phenylthio)propyl]cyclohexanone Formula: C16H22OS MolecularWeight: 262.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1CCCC(=O)C1)SC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C1CCCC(=O)C1)SC2=CC=CC=C2

InChI

InChI=1S/C16H22OS/c1-12(2)16(13-7-6-8-14(17)11-13)18-15-9-4-3-5-10-15/h3-5,9-10,12-13,16H,6-8,11H2,1-2H3