2-[5-(2,4-dichlorophenyl)sulfonylpentylsulfanylmethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[5-(2,4-dichlorophenyl)sulfonylpentylsulfanylmethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[5-(2,4-dichlorophenyl)sulfonylpentylsulfanylmethyl]-2-hydroxy-butanedioic acid CAS Name: 2-[[5-(2,4-dichlorophenyl)sulfonylpentylthio]methyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[5-(2,4-dichlorophenyl)sulfonylpentylsulfanylmethyl]-2-hydroxybutanedioic acid Traditional Name: 2-[[5-(2,4-dichlorophenyl)sulfonylpentylthio]methyl]-2-hydroxy-succinic acid Formula: C16H20Cl2O7S2 MolecularWeight: 459.3618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)CCCCCSCC(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)CCCCCSCC(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C16H20Cl2O7S2/c17-11-4-5-13(12(18)8-11)27(24,25)7-3-1-2-6-26-10-16(23,15(21)22)9-14(19)20/h4-5,8,23H,1-3,6-7,9-10H2,(H,19,20)(H,21,22)