2-[2-(2,4-dichlorophenyl)ethylsulfanylmethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[2-(2,4-dichlorophenyl)ethylsulfanylmethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[2-(2,4-dichlorophenyl)ethylsulfanylmethyl]-2-hydroxy-butanedioic acid CAS Name: 2-[[2-(2,4-dichlorophenyl)ethylthio]methyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[2-(2,4-dichlorophenyl)ethylsulfanylmethyl]-2-hydroxybutanedioic acid Traditional Name: 2-[[2-(2,4-dichlorophenyl)ethylthio]methyl]-2-hydroxy-succinic acid Formula: C13H14Cl2O5S MolecularWeight: 353.21826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)CCSCC(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)CCSCC(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C13H14Cl2O5S/c14-9-2-1-8(10(15)5-9)3-4-21-7-13(20,12(18)19)6-11(16)17/h1-2,5,20H,3-4,6-7H2,(H,16,17)(H,18,19)