[1-phosphono-2-(2H-1,2,3-triazol-4-yl)ethyl]phosphonic acid

Systemtic Name: [1-phosphono-2-(2H-1,2,3-triazol-4-yl)ethyl]phosphonic acid Openeye Name: [1-phosphono-2-(2H-triazol-4-yl)ethyl]phosphonic acid CAS Name: [1-phosphono-2-(2H-triazol-4-yl)ethyl]phosphonic acid IUPAC Name: [1-phosphono-2-(2H-triazol-4-yl)ethyl]phosphonic acid Traditional Name: [1-phosphono-2-(2H-triazol-4-yl)ethyl]phosphonic acid Formula: C4H9N3O6P2 MolecularWeight: 257.078282

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Descriptors Computed from Structure

Canonical SMILES:

C1=NNN=C1CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=NNN=C1CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C4H9N3O6P2/c8-14(9,10)4(15(11,12)13)1-3-2-5-7-6-3/h2,4H,1H2,(H,5,6,7)(H2,8,9,10)(H2,11,12,13)