[5-(1H-benzimidazol-2-yl)-1-oxidanyl-1-phosphono-pentyl]phosphonic acid

Systemtic Name: [5-(1H-benzimidazol-2-yl)-1-oxidanyl-1-phosphono-pentyl]phosphonic acid Openeye Name: [5-(1H-benzimidazol-2-yl)-1-hydroxy-1-phosphono-pentyl]phosphonic acid CAS Name: [5-(1H-benzimidazol-2-yl)-1-hydroxy-1-phosphonopentyl]phosphonic acid IUPAC Name: [5-(1H-benzimidazol-2-yl)-1-hydroxy-1-phosphonopentyl]phosphonic acid Traditional Name: [5-(1H-benzimidazol-2-yl)-1-hydroxy-1-phosphono-pentyl]phosphonic acid Formula: C12H18N2O7P2 MolecularWeight: 364.228042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CCCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CCCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H18N2O7P2/c15-12(22(16,17)18,23(19,20)21)8-4-3-7-11-13-9-5-1-2-6-10(9)14-11/h1-2,5-6,15H,3-4,7-8H2,(H,13,14)(H2,16,17,18)(H2,19,20,21)