diethyl 2-[6-(2,4-dichlorophenyl)hexylsulfanylmethyl]propanedioate

Systemtic Name: diethyl 2-[6-(2,4-dichlorophenyl)hexylsulfanylmethyl]propanedioate Openeye Name: diethyl 2-[6-(2,4-dichlorophenyl)hexylsulfanylmethyl]propanedioate CAS Name: 2-[[6-(2,4-dichlorophenyl)hexylthio]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[6-(2,4-dichlorophenyl)hexylsulfanylmethyl]propanedioate Traditional Name: 2-[[6-(2,4-dichlorophenyl)hexylthio]methyl]malonic acid diethyl ester Formula: C20H28Cl2O4S MolecularWeight: 435.40492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCCCCCCC1=C(C=C(C=C1)Cl)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CSCCCCCCC1=C(C=C(C=C1)Cl)Cl)C(=O)OCC

InChI

InChI=1S/C20H28Cl2O4S/c1-3-25-19(23)17(20(24)26-4-2)14-27-12-8-6-5-7-9-15-10-11-16(21)13-18(15)22/h10-11,13,17H,3-9,12,14H2,1-2H3