bis(acetyloxymethyl) 2-[6-(2,4-dichlorophenyl)hexylsulfanylmethyl]-2-oxidanyl-butanedioate

Systemtic Name: bis(acetyloxymethyl) 2-[6-(2,4-dichlorophenyl)hexylsulfanylmethyl]-2-oxidanyl-butanedioate Openeye Name: bis(acetoxymethyl) 2-[6-(2,4-dichlorophenyl)hexylsulfanylmethyl]-2-hydroxy-butanedioate CAS Name: 2-[[6-(2,4-dichlorophenyl)hexylthio]methyl]-2-hydroxybutanedioic acid bis(acetyloxymethyl) ester IUPAC Name: bis(acetyloxymethyl) 2-[6-(2,4-dichlorophenyl)hexylsulfanylmethyl]-2-hydroxybutanedioate Traditional Name: 2-[[6-(2,4-dichlorophenyl)hexylthio]methyl]-2-hydroxy-succinic acid bis(acetoxymethyl) ester Formula: C23H30Cl2O9S MolecularWeight: 553.4499

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCOC(=O)CC(CSCCCCCCC1=C(C=C(C=C1)Cl)Cl)(C(=O)OCOC(=O)C)O

Isomeric SMILES

CC(=O)OCOC(=O)CC(CSCCCCCCC1=C(C=C(C=C1)Cl)Cl)(C(=O)OCOC(=O)C)O

InChI

InChI=1S/C23H30Cl2O9S/c1-16(26)31-14-33-21(28)12-23(30,22(29)34-15-32-17(2)27)13-35-10-6-4-3-5-7-18-8-9-19(24)11-20(18)25/h8-9,11,30H,3-7,10,12-15H2,1-2H3