[5-(3H-benzimidazol-5-yl)-1-oxidanyl-1-phosphono-pentyl]phosphonic acid

Systemtic Name: [5-(3H-benzimidazol-5-yl)-1-oxidanyl-1-phosphono-pentyl]phosphonic acid Openeye Name: [5-(3H-benzimidazol-5-yl)-1-hydroxy-1-phosphono-pentyl]phosphonic acid CAS Name: [5-(3H-benzimidazol-5-yl)-1-hydroxy-1-phosphonopentyl]phosphonic acid IUPAC Name: [5-(3H-benzimidazol-5-yl)-1-hydroxy-1-phosphonopentyl]phosphonic acid Traditional Name: [5-(3H-benzimidazol-5-yl)-1-hydroxy-1-phosphono-pentyl]phosphonic acid Formula: C12H18N2O7P2 MolecularWeight: 364.228042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CCCCC(O)(P(=O)(O)O)P(=O)(O)O)NC=N2

Isomeric SMILES

C1=CC2=C(C=C1CCCCC(O)(P(=O)(O)O)P(=O)(O)O)NC=N2

InChI

InChI=1S/C12H18N2O7P2/c15-12(22(16,17)18,23(19,20)21)6-2-1-3-9-4-5-10-11(7-9)14-8-13-10/h4-5,7-8,15H,1-3,6H2,(H,13,14)(H2,16,17,18)(H2,19,20,21)