3-(3,3-dimethoxy-1-phenylsulfanyl-propyl)cyclohexan-1-one

Systemtic Name: 3-(3,3-dimethoxy-1-phenylsulfanyl-propyl)cyclohexan-1-one Openeye Name: 3-(3,3-dimethoxy-1-phenylsulfanyl-propyl)cyclohexanone CAS Name: 3-[3,3-dimethoxy-1-(phenylthio)propyl]-1-cyclohexanone IUPAC Name: 3-(3,3-dimethoxy-1-phenylsulfanylpropyl)cyclohexan-1-one Traditional Name: 3-[3,3-dimethoxy-1-(phenylthio)propyl]cyclohexanone Formula: C17H24O3S MolecularWeight: 308.43566

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC(C1CCCC(=O)C1)SC2=CC=CC=C2)OC

Isomeric SMILES

COC(CC(C1CCCC(=O)C1)SC2=CC=CC=C2)OC

InChI

InChI=1S/C17H24O3S/c1-19-17(20-2)12-16(13-7-6-8-14(18)11-13)21-15-9-4-3-5-10-15/h3-5,9-10,13,16-17H,6-8,11-12H2,1-2H3