2-[9-(2,4-dichlorophenyl)nonylsulfanylmethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[9-(2,4-dichlorophenyl)nonylsulfanylmethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[9-(2,4-dichlorophenyl)nonylsulfanylmethyl]-2-hydroxy-butanedioic acid CAS Name: 2-[[9-(2,4-dichlorophenyl)nonylthio]methyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[9-(2,4-dichlorophenyl)nonylsulfanylmethyl]-2-hydroxybutanedioic acid Traditional Name: 2-[[9-(2,4-dichlorophenyl)nonylthio]methyl]-2-hydroxy-succinic acid Formula: C20H28Cl2O5S MolecularWeight: 451.40432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28Cl2O5S/c21-16-10-9-15(17(22)12-16)8-6-4-2-1-3-5-7-11-28-14-20(27,19(25)26)13-18(23)24/h9-10,12,27H,1-8,11,13-14H2,(H,23,24)(H,25,26)