(2S,5R)-2-methyl-2-(phenylmethylsulfanyl)-5-prop-1-en-2-yl-cyclohexan-1-one

Systemtic Name: (2S,5R)-2-methyl-2-(phenylmethylsulfanyl)-5-prop-1-en-2-yl-cyclohexan-1-one Openeye Name: (2S,5R)-2-benzylsulfanyl-5-isopropenyl-2-methyl-cyclohexanone CAS Name: (2S,5R)-2-methyl-5-(1-methylethenyl)-2-(phenylmethylthio)-1-cyclohexanone IUPAC Name: (2S,5R)-2-benzylsulfanyl-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one Traditional Name: (2S,5R)-2-(benzylthio)-5-isopropenyl-2-methyl-cyclohexanone Formula: C17H22OS MolecularWeight: 274.42098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(C(=O)C1)(C)SCC2=CC=CC=C2

Isomeric SMILES

CC(=C)[C@@H]1CC[C@](C(=O)C1)(C)SCC2=CC=CC=C2

InChI

InChI=1S/C17H22OS/c1-13(2)15-9-10-17(3,16(18)11-15)19-12-14-7-5-4-6-8-14/h4-8,15H,1,9-12H2,2-3H3/t15-,17+/m1/s1