[3-(1-methylbenzimidazol-2-yl)-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-(1-methylbenzimidazol-2-yl)-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-(1-methylbenzimidazol-2-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-(1-methyl-2-benzimidazolyl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-(1-methylbenzimidazol-2-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-(1-methylbenzimidazol-2-yl)-1-phosphono-propyl]phosphonic acid Formula: C11H16N2O7P2 MolecularWeight: 350.201462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H16N2O7P2/c1-13-9-5-3-2-4-8(9)12-10(13)6-7-11(14,21(15,16)17)22(18,19)20/h2-5,14H,6-7H2,1H3,(H2,15,16,17)(H2,18,19,20)