[1-oxidanyl-1-phosphono-3-(1,2,4-triazol-1-yl)butyl]phosphonic acid

Systemtic Name: [1-oxidanyl-1-phosphono-3-(1,2,4-triazol-1-yl)butyl]phosphonic acid Openeye Name: [1-hydroxy-1-phosphono-3-(1,2,4-triazol-1-yl)butyl]phosphonic acid CAS Name: [1-hydroxy-1-phosphono-3-(1,2,4-triazol-1-yl)butyl]phosphonic acid IUPAC Name: [1-hydroxy-1-phosphono-3-(1,2,4-triazol-1-yl)butyl]phosphonic acid Traditional Name: [1-hydroxy-1-phosphono-3-(1,2,4-triazol-1-yl)butyl]phosphonic acid Formula: C6H13N3O7P2 MolecularWeight: 301.130842

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(O)(P(=O)(O)O)P(=O)(O)O)N1C=NC=N1

Isomeric SMILES

CC(CC(O)(P(=O)(O)O)P(=O)(O)O)N1C=NC=N1

InChI

InChI=1S/C6H13N3O7P2/c1-5(9-4-7-3-8-9)2-6(10,17(11,12)13)18(14,15)16/h3-5,10H,2H2,1H3,(H2,11,12,13)(H2,14,15,16)