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

Systemtic Name: ethyl 3-(2,2-dimethyl-6-oxidanylidene-cyclohexyl)-2-(phenylsulfinyl)propanoate Openeye Name: ethyl 2-(benzenesulfinyl)-3-(2,2-dimethyl-6-oxo-cyclohexyl)propanoate CAS Name: 2-(benzenesulfinyl)-3-(2,2-dimethyl-6-oxocyclohexyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfinyl)-3-(2,2-dimethyl-6-oxocyclohexyl)propanoate Traditional Name: 2-(benzenesulfinyl)-3-(6-keto-2,2-dimethyl-cyclohexyl)propionic acid ethyl ester Formula: C19H26O4S MolecularWeight: 350.47234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1C(=O)CCCC1(C)C)S(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CC1C(=O)CCCC1(C)C)S(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H26O4S/c1-4-23-18(21)17(24(22)14-9-6-5-7-10-14)13-15-16(20)11-8-12-19(15,2)3/h5-7,9-10,15,17H,4,8,11-13H2,1-3H3