[3-(2,6-dimethyl-1H-benzimidazol-5-yl)-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-(2,6-dimethyl-1H-benzimidazol-5-yl)-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(2,6-dimethyl-1H-benzimidazol-5-yl)-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-(2,6-dimethyl-1H-benzimidazol-5-yl)-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(2,6-dimethyl-1H-benzimidazol-5-yl)-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(2,6-dimethyl-1H-benzimidazol-5-yl)-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C12H18N2O7P2 MolecularWeight: 364.228042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1CCC(O)(P(=O)(O)O)P(=O)(O)O)N=C(N2)C

Isomeric SMILES

CC1=CC2=C(C=C1CCC(O)(P(=O)(O)O)P(=O)(O)O)N=C(N2)C

InChI

InChI=1S/C12H18N2O7P2/c1-7-5-10-11(14-8(2)13-10)6-9(7)3-4-12(15,22(16,17)18)23(19,20)21/h5-6,15H,3-4H2,1-2H3,(H,13,14)(H2,16,17,18)(H2,19,20,21)