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

Systemtic Name: [2-(benzimidazol-1-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(benzimidazol-1-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(1-benzimidazolyl)-1-hydroxy-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(benzimidazol-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(benzimidazol-1-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid Formula: C9H12N2O7P2 MolecularWeight: 322.148302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-11-6-10-7-3-1-2-4-8(7)11/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)