1-[(4-chloranyl-1H-benzimidazol-2-yl)sulfanyl]propane-1,1,3-tricarboxylic acid

Systemtic Name: 1-[(4-chloranyl-1H-benzimidazol-2-yl)sulfanyl]propane-1,1,3-tricarboxylic acid Openeye Name: 1-[(4-chloro-1H-benzimidazol-2-yl)sulfanyl]propane-1,1,3-tricarboxylic acid CAS Name: 1-[(4-chloro-1H-benzimidazol-2-yl)thio]propane-1,1,3-tricarboxylic acid IUPAC Name: 1-[(4-chloro-1H-benzimidazol-2-yl)sulfanyl]propane-1,1,3-tricarboxylic acid Traditional Name: 1-[(4-chloro-1H-benzimidazol-2-yl)thio]propane-1,1,3-tricarboxylic acid Formula: C13H11ClN2O6S MolecularWeight: 358.75424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)N=C(N2)SC(CCC(=O)O)(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)N=C(N2)SC(CCC(=O)O)(C(=O)O)C(=O)O

InChI

InChI=1S/C13H11ClN2O6S/c14-6-2-1-3-7-9(6)16-12(15-7)23-13(10(19)20,11(21)22)5-4-8(17)18/h1-3H,4-5H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)