3-[(E)-2-methyl-4-(phenylsulfinyl)but-3-en-2-yl]cyclohexan-1-one

Systemtic Name: 3-[(E)-2-methyl-4-(phenylsulfinyl)but-3-en-2-yl]cyclohexan-1-one Openeye Name: 3-[(E)-3-(benzenesulfinyl)-1,1-dimethyl-allyl]cyclohexanone CAS Name: 3-[(E)-4-(benzenesulfinyl)-2-methylbut-3-en-2-yl]-1-cyclohexanone IUPAC Name: 3-[(E)-4-(benzenesulfinyl)-2-methylbut-3-en-2-yl]cyclohexan-1-one Traditional Name: 3-[(E)-3-(benzenesulfinyl)-1,1-dimethyl-allyl]cyclohexanone Formula: C17H22O2S MolecularWeight: 290.42038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=CS(=O)C1=CC=CC=C1)C2CCCC(=O)C2

Isomeric SMILES

CC(C)(/C=C/S(=O)C1=CC=CC=C1)C2CCCC(=O)C2

InChI

InChI=1S/C17H22O2S/c1-17(2,14-7-6-8-15(18)13-14)11-12-20(19)16-9-4-3-5-10-16/h3-5,9-12,14H,6-8,13H2,1-2H3/b12-11+