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

Systemtic Name: [4-(1-methyl-1,2,3-triazol-4-yl)-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [1-hydroxy-4-(1-methyltriazol-4-yl)-1-phosphono-butyl]phosphonic acid CAS Name: [1-hydroxy-4-(1-methyl-4-triazolyl)-1-phosphonobutyl]phosphonic acid IUPAC Name: [1-hydroxy-4-(1-methyltriazol-4-yl)-1-phosphonobutyl]phosphonic acid Traditional Name: [1-hydroxy-4-(1-methyltriazol-4-yl)-1-phosphono-butyl]phosphonic acid Formula: C7H15N3O7P2 MolecularWeight: 315.157422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15N3O7P2/c1-10-5-6(8-9-10)3-2-4-7(11,18(12,13)14)19(15,16)17/h5,11H,2-4H2,1H3,(H2,12,13,14)(H2,15,16,17)