[2-(benzimidazol-1-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(benzimidazol-1-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(benzimidazol-1-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(1-benzimidazolyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(benzimidazol-1-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(benzimidazol-1-yl)-1-phosphono-ethyl]phosphonic acid Formula: C9H12N2O6P2 MolecularWeight: 306.148902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H12N2O6P2/c12-18(13,14)9(19(15,16)17)5-11-6-10-7-3-1-2-4-8(7)11/h1-4,6,9H,5H2,(H2,12,13,14)(H2,15,16,17)