[5-(5-azanyl-2H-1,2,3-triazol-4-yl)-1-oxidanyl-1-phosphono-pentyl]phosphonic acid

Systemtic Name: [5-(5-azanyl-2H-1,2,3-triazol-4-yl)-1-oxidanyl-1-phosphono-pentyl]phosphonic acid Openeye Name: [5-(5-amino-2H-triazol-4-yl)-1-hydroxy-1-phosphono-pentyl]phosphonic acid CAS Name: [5-(5-amino-2H-triazol-4-yl)-1-hydroxy-1-phosphonopentyl]phosphonic acid IUPAC Name: [5-(5-amino-2H-triazol-4-yl)-1-hydroxy-1-phosphonopentyl]phosphonic acid Traditional Name: [5-(5-amino-2H-triazol-4-yl)-1-hydroxy-1-phosphono-pentyl]phosphonic acid Formula: C7H16N4O7P2 MolecularWeight: 330.172062

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CC1=NNN=C1N

Isomeric SMILES

C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CC1=NNN=C1N

InChI

InChI=1S/C7H16N4O7P2/c8-6-5(9-11-10-6)3-1-2-4-7(12,19(13,14)15)20(16,17)18/h12H,1-4H2,(H2,13,14,15)(H2,16,17,18)(H3,8,9,10,11)