[[diphosphonomethyl(pyridin-2-ylmethyl)amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[diphosphonomethyl(pyridin-2-ylmethyl)amino]-phosphono-methyl]phosphonic acid Openeye Name: [[diphosphonomethyl(2-pyridylmethyl)amino]-phosphono-methyl]phosphonic acid CAS Name: [[diphosphonomethyl(2-pyridinylmethyl)amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[diphosphonomethyl(pyridin-2-ylmethyl)amino]-phosphonomethyl]phosphonic acid Traditional Name: [[diphosphonomethyl(2-pyridylmethyl)amino]-phosphono-methyl]phosphonic acid Formula: C8H16N2O12P4 MolecularWeight: 456.113884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=NC(=C1)CN(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H16N2O12P4/c11-23(12,13)7(24(14,15)16)10(5-6-3-1-2-4-9-6)8(25(17,18)19)26(20,21)22/h1-4,7-8H,5H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)