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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NN(C=N1)CCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=NN(C=N1)CCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H13N3O7P2/c10-6(17(11,12)13,18(14,15)16)2-1-3-9-5-7-4-8-9/h4-5,10H,1-3H2,(H2,11,12,13)(H2,14,15,16)