(2S,3S)-3-butyl-2-(phenylsulfanylmethyl)cyclohexan-1-one

Systemtic Name: (2S,3S)-3-butyl-2-(phenylsulfanylmethyl)cyclohexan-1-one Openeye Name: (2S,3S)-3-butyl-2-(phenylsulfanylmethyl)cyclohexanone CAS Name: (2S,3S)-3-butyl-2-[(phenylthio)methyl]-1-cyclohexanone IUPAC Name: (2S,3S)-3-butyl-2-(phenylsulfanylmethyl)cyclohexan-1-one Traditional Name: (2S,3S)-3-butyl-2-[(phenylthio)methyl]cyclohexanone Formula: C17H24OS MolecularWeight: 276.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCCC(=O)C1CSC2=CC=CC=C2

Isomeric SMILES

CCCC[C@H]1CCCC(=O)[C@H]1CSC2=CC=CC=C2

InChI

InChI=1S/C17H24OS/c1-2-3-8-14-9-7-12-17(18)16(14)13-19-15-10-5-4-6-11-15/h4-6,10-11,14,16H,2-3,7-9,12-13H2,1H3/t14-,16-/m0/s1