2-(1H-benzimidazol-2-ylmethyl)-2,4-diphosphono-butanoic acid

Systemtic Name: 2-(1H-benzimidazol-2-ylmethyl)-2,4-diphosphono-butanoic acid Openeye Name: 2-(1H-benzimidazol-2-ylmethyl)-2,4-diphosphono-butanoic acid CAS Name: 2-(1H-benzimidazol-2-ylmethyl)-2,4-diphosphonobutanoic acid IUPAC Name: 2-(1H-benzimidazol-2-ylmethyl)-2,4-diphosphonobutanoic acid Traditional Name: 2-(1H-benzimidazol-2-ylmethyl)-2,4-diphosphono-butyric acid Formula: C12H16N2O8P2 MolecularWeight: 378.211562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CC(CCP(=O)(O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CC(CCP(=O)(O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C12H16N2O8P2/c15-11(16)12(24(20,21)22,5-6-23(17,18)19)7-10-13-8-3-1-2-4-9(8)14-10/h1-4H,5-7H2,(H,13,14)(H,15,16)(H2,17,18,19)(H2,20,21,22)