[1-oxidanyl-2-[3-(6-oxidanylidene-1H-pyridin-3-yl)phenyl]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [1-oxidanyl-2-[3-(6-oxidanylidene-1H-pyridin-3-yl)phenyl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-[3-(6-oxo-1H-pyridin-3-yl)phenyl]-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-[3-(6-oxo-1H-pyridin-3-yl)phenyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[3-(6-oxo-1H-pyridin-3-yl)phenyl]-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-[3-(6-keto-1H-pyridin-3-yl)phenyl]-1-phosphono-ethyl]phosphonic acid Formula: C13H15NO8P2 MolecularWeight: 375.207622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(O)(P(=O)(O)O)P(=O)(O)O)C2=CNC(=O)C=C2

Isomeric SMILES

C1=CC(=CC(=C1)CC(O)(P(=O)(O)O)P(=O)(O)O)C2=CNC(=O)C=C2

InChI

InChI=1S/C13H15NO8P2/c15-12-5-4-11(8-14-12)10-3-1-2-9(6-10)7-13(16,23(17,18)19)24(20,21)22/h1-6,8,16H,7H2,(H,14,15)(H2,17,18,19)(H2,20,21,22)