diethyl 2-(2-phenylsulfanylcyclohexyl)propanedioate

Systemtic Name: diethyl 2-(2-phenylsulfanylcyclohexyl)propanedioate Openeye Name: diethyl 2-(2-phenylsulfanylcyclohexyl)propanedioate CAS Name: 2-[2-(phenylthio)cyclohexyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-phenylsulfanylcyclohexyl)propanedioate Traditional Name: 2-[2-(phenylthio)cyclohexyl]malonic acid diethyl ester Formula: C19H26O4S MolecularWeight: 350.47234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CCCCC1SC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1CCCCC1SC2=CC=CC=C2)C(=O)OCC

InChI

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