[4-oxidanyl-4-(1H-1,2,4-triazol-5-yl)butyl]phosphonic acid

Systemtic Name: [4-oxidanyl-4-(1H-1,2,4-triazol-5-yl)butyl]phosphonic acid Openeye Name: [4-hydroxy-4-(1H-1,2,4-triazol-5-yl)butyl]phosphonic acid CAS Name: [4-hydroxy-4-(1H-1,2,4-triazol-5-yl)butyl]phosphonic acid IUPAC Name: [4-hydroxy-4-(1H-1,2,4-triazol-5-yl)butyl]phosphonic acid Traditional Name: [4-hydroxy-4-(1H-1,2,4-triazol-5-yl)butyl]phosphonic acid Formula: C6H12N3O4P MolecularWeight: 221.150941

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Descriptors Computed from Structure

Canonical SMILES:

C1=NNC(=N1)C(CCCP(=O)(O)O)O

Isomeric SMILES

C1=NNC(=N1)C(CCCP(=O)(O)O)O

InChI

InChI=1S/C6H12N3O4P/c10-5(6-7-4-8-9-6)2-1-3-14(11,12)13/h4-5,10H,1-3H2,(H,7,8,9)(H2,11,12,13)