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

Systemtic Name: [5-(5-azanyl-1-methyl-1,2,3-triazol-4-yl)-1-oxidanyl-1-phosphono-pentyl]phosphonic acid Openeye Name: [5-(5-amino-1-methyl-triazol-4-yl)-1-hydroxy-1-phosphono-pentyl]phosphonic acid CAS Name: [5-(5-amino-1-methyl-4-triazolyl)-1-hydroxy-1-phosphonopentyl]phosphonic acid IUPAC Name: [5-(5-amino-1-methyltriazol-4-yl)-1-hydroxy-1-phosphonopentyl]phosphonic acid Traditional Name: [5-(5-amino-1-methyl-triazol-4-yl)-1-hydroxy-1-phosphono-pentyl]phosphonic acid Formula: C8H18N4O7P2 MolecularWeight: 344.198642

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(N=N1)CCCCC(O)(P(=O)(O)O)P(=O)(O)O)N

Isomeric SMILES

CN1C(=C(N=N1)CCCCC(O)(P(=O)(O)O)P(=O)(O)O)N

InChI

InChI=1S/C8H18N4O7P2/c1-12-7(9)6(10-11-12)4-2-3-5-8(13,20(14,15)16)21(17,18)19/h13H,2-5,9H2,1H3,(H2,14,15,16)(H2,17,18,19)