methyl 3-(2,2-dimethyl-6-oxidanylidene-cyclohexyl)-2-(phenylsulfinyl)propanoate

Systemtic Name: methyl 3-(2,2-dimethyl-6-oxidanylidene-cyclohexyl)-2-(phenylsulfinyl)propanoate Openeye Name: methyl 2-(benzenesulfinyl)-3-(2,2-dimethyl-6-oxo-cyclohexyl)propanoate CAS Name: 2-(benzenesulfinyl)-3-(2,2-dimethyl-6-oxocyclohexyl)propanoic acid methyl ester IUPAC Name: methyl 2-(benzenesulfinyl)-3-(2,2-dimethyl-6-oxocyclohexyl)propanoate Traditional Name: 2-(benzenesulfinyl)-3-(6-keto-2,2-dimethyl-cyclohexyl)propionic acid methyl ester Formula: C18H24O4S MolecularWeight: 336.44576

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(=O)C1CC(C(=O)OC)S(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1(CCCC(=O)C1CC(C(=O)OC)S(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C18H24O4S/c1-18(2)11-7-10-15(19)14(18)12-16(17(20)22-3)23(21)13-8-5-4-6-9-13/h4-6,8-9,14,16H,7,10-12H2,1-3H3