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

Systemtic Name: bis(acetyloxymethyl) 2-[6-(2,4-dichlorophenyl)hexylsulfanylmethyl]-2-oxidanyl-propanedioate Openeye Name: bis(acetoxymethyl) 2-[6-(2,4-dichlorophenyl)hexylsulfanylmethyl]-2-hydroxy-propanedioate CAS Name: 2-[[6-(2,4-dichlorophenyl)hexylthio]methyl]-2-hydroxypropanedioic acid bis(acetyloxymethyl) ester IUPAC Name: bis(acetyloxymethyl) 2-[6-(2,4-dichlorophenyl)hexylsulfanylmethyl]-2-hydroxypropanedioate Traditional Name: 2-[[6-(2,4-dichlorophenyl)hexylthio]methyl]-2-hydroxy-malonic acid bis(acetoxymethyl) ester Formula: C22H28Cl2O9S MolecularWeight: 539.42332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28Cl2O9S/c1-15(25)30-13-32-20(27)22(29,21(28)33-14-31-16(2)26)12-34-10-6-4-3-5-7-17-8-9-18(23)11-19(17)24/h8-9,11,29H,3-7,10,12-14H2,1-2H3