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

Systemtic Name: methyl 3-(2,2-dimethyl-6-oxidanylidene-cyclohexyl)-2-phenylsulfanyloxy-propanoate Openeye Name: methyl 3-(2,2-dimethyl-6-oxo-cyclohexyl)-2-phenylsulfanyloxy-propanoate CAS Name: 3-(2,2-dimethyl-6-oxocyclohexyl)-2-(phenylthio)oxypropanoic acid methyl ester IUPAC Name: methyl 3-(2,2-dimethyl-6-oxocyclohexyl)-2-phenylsulfanyloxypropanoate Traditional Name: 3-(6-keto-2,2-dimethyl-cyclohexyl)-2-(phenylthio)oxy-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)OSC2=CC=CC=C2)C

Isomeric SMILES

CC1(CCCC(=O)C1CC(C(=O)OC)OSC2=CC=CC=C2)C

InChI

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