4-(1H-benzimidazol-2-ylsulfanyl)butane-1,2,3-tricarboxylic acid

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)butane-1,2,3-tricarboxylic acid Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)butane-1,2,3-tricarboxylic acid CAS Name: 4-(1H-benzimidazol-2-ylthio)butane-1,2,3-tricarboxylic acid IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)butane-1,2,3-tricarboxylic acid Traditional Name: 4-(1H-benzimidazol-2-ylthio)butane-1,2,3-tricarboxylic acid Formula: C14H14N2O6S MolecularWeight: 338.33576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O6S/c17-11(18)5-7(12(19)20)8(13(21)22)6-23-14-15-9-3-1-2-4-10(9)16-14/h1-4,7-8H,5-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)