(3S)-3-(2,6-dimethylphenyl)sulfanylcyclohexan-1-one

Systemtic Name: (3S)-3-(2,6-dimethylphenyl)sulfanylcyclohexan-1-one Openeye Name: (3S)-3-(2,6-dimethylphenyl)sulfanylcyclohexanone CAS Name: (3S)-3-[(2,6-dimethylphenyl)thio]-1-cyclohexanone IUPAC Name: (3S)-3-(2,6-dimethylphenyl)sulfanylcyclohexan-1-one Traditional Name: (3S)-3-[(2,6-dimethylphenyl)thio]cyclohexanone Formula: C14H18OS MolecularWeight: 234.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)SC2CCCC(=O)C2

Isomeric SMILES

CC1=C(C(=CC=C1)C)S[C@H]2CCCC(=O)C2

InChI

InChI=1S/C14H18OS/c1-10-5-3-6-11(2)14(10)16-13-8-4-7-12(15)9-13/h3,5-6,13H,4,7-9H2,1-2H3/t13-/m0/s1