1-(1H-benzimidazol-2-ylsulfanyl)propane-1,2,3-tricarboxylic acid

Systemtic Name: 1-(1H-benzimidazol-2-ylsulfanyl)propane-1,2,3-tricarboxylic acid Openeye Name: 1-(1H-benzimidazol-2-ylsulfanyl)propane-1,2,3-tricarboxylic acid CAS Name: 1-(1H-benzimidazol-2-ylthio)propane-1,2,3-tricarboxylic acid IUPAC Name: 1-(1H-benzimidazol-2-ylsulfanyl)propane-1,2,3-tricarboxylic acid Traditional Name: 1-(1H-benzimidazol-2-ylthio)propane-1,2,3-tricarboxylic acid Formula: C13H12N2O6S MolecularWeight: 324.30918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC(C(CC(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC(C(CC(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C13H12N2O6S/c16-9(17)5-6(11(18)19)10(12(20)21)22-13-14-7-3-1-2-4-8(7)15-13/h1-4,6,10H,5H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)