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

Systemtic Name: 2-[5-[(2,4-dichlorophenyl)amino]pentylsulfanylmethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[5-(2,4-dichloroanilino)pentylsulfanylmethyl]-2-hydroxy-butanedioic acid CAS Name: 2-[[5-(2,4-dichloroanilino)pentylthio]methyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[5-(2,4-dichloroanilino)pentylsulfanylmethyl]-2-hydroxybutanedioic acid Traditional Name: 2-[[5-(2,4-dichloroanilino)pentylthio]methyl]-2-hydroxy-succinic acid Formula: C16H21Cl2NO5S MolecularWeight: 410.31264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21Cl2NO5S/c17-11-4-5-13(12(18)8-11)19-6-2-1-3-7-25-10-16(24,15(22)23)9-14(20)21/h4-5,8,19,24H,1-3,6-7,9-10H2,(H,20,21)(H,22,23)