[[2-[4-(diphosphonomethyl)pyridin-2-yl]pyridin-4-yl]-phosphono-methyl]phosphonic acid

Systemtic Name: [[2-[4-(diphosphonomethyl)pyridin-2-yl]pyridin-4-yl]-phosphono-methyl]phosphonic acid Openeye Name: [[2-[4-(diphosphonomethyl)-2-pyridyl]-4-pyridyl]-phosphono-methyl]phosphonic acid CAS Name: [[2-[4-(diphosphonomethyl)-2-pyridinyl]-4-pyridinyl]-phosphonomethyl]phosphonic acid IUPAC Name: [[2-[4-(diphosphonomethyl)pyridin-2-yl]pyridin-4-yl]-phosphonomethyl]phosphonic acid Traditional Name: [[2-[4-(diphosphonomethyl)-2-pyridyl]-4-pyridyl]-phosphono-methyl]phosphonic acid Formula: C12H16N2O12P4 MolecularWeight: 504.156684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=C1C(P(=O)(O)O)P(=O)(O)O)C2=NC=CC(=C2)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CN=C(C=C1C(P(=O)(O)O)P(=O)(O)O)C2=NC=CC(=C2)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H16N2O12P4/c15-27(16,17)11(28(18,19)20)7-1-3-13-9(5-7)10-6-8(2-4-14-10)12(29(21,22)23)30(24,25)26/h1-6,11-12H,(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)