disodium N-(diphosphonatomethyl)-1H-benzimidazol-2-amine

Systemtic Name: disodium N-(diphosphonatomethyl)-1H-benzimidazol-2-amine Openeye Name: disodium N-(diphosphonatomethyl)-1H-benzimidazol-2-amine CAS Name: disodium N-(diphosphonatomethyl)-1H-benzimidazol-2-amine IUPAC Name: disodium N-(diphosphonatomethyl)-1H-benzimidazol-2-amine Traditional Name: disodium 1H-benzimidazol-2-yl(diphosphonatomethyl)amine Formula: C8H7N3Na2O6P2-2 MolecularWeight: 349.084742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)NC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)NC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C8H11N3O6P2.2Na/c12-18(13,14)8(19(15,16)17)11-7-9-5-3-1-2-4-6(5)10-7;;/h1-4,8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17);;/q;2*+1/p-4