[5-(2,6-dimethyl-1H-benzimidazol-5-yl)-1-oxidanyl-1-phosphono-pentyl]phosphonic acid

Systemtic Name: [5-(2,6-dimethyl-1H-benzimidazol-5-yl)-1-oxidanyl-1-phosphono-pentyl]phosphonic acid Openeye Name: [5-(2,6-dimethyl-1H-benzimidazol-5-yl)-1-hydroxy-1-phosphono-pentyl]phosphonic acid CAS Name: [5-(2,6-dimethyl-1H-benzimidazol-5-yl)-1-hydroxy-1-phosphonopentyl]phosphonic acid IUPAC Name: [5-(2,6-dimethyl-1H-benzimidazol-5-yl)-1-hydroxy-1-phosphonopentyl]phosphonic acid Traditional Name: [5-(2,6-dimethyl-1H-benzimidazol-5-yl)-1-hydroxy-1-phosphono-pentyl]phosphonic acid Formula: C14H22N2O7P2 MolecularWeight: 392.281202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1CCCCC(O)(P(=O)(O)O)P(=O)(O)O)N=C(N2)C

Isomeric SMILES

CC1=CC2=C(C=C1CCCCC(O)(P(=O)(O)O)P(=O)(O)O)N=C(N2)C

InChI

InChI=1S/C14H22N2O7P2/c1-9-7-12-13(16-10(2)15-12)8-11(9)5-3-4-6-14(17,24(18,19)20)25(21,22)23/h7-8,17H,3-6H2,1-2H3,(H,15,16)(H2,18,19,20)(H2,21,22,23)