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

Systemtic Name: [3-[5-azanyl-1-(phenylmethyl)-1,2,3-triazol-4-yl]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(5-amino-1-benzyl-triazol-4-yl)-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-[5-amino-1-(phenylmethyl)-4-triazolyl]-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(5-amino-1-benzyltriazol-4-yl)-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(5-amino-1-benzyl-triazol-4-yl)-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C12H18N4O7P2 MolecularWeight: 392.241442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(N=N2)CCC(O)(P(=O)(O)O)P(=O)(O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(N=N2)CCC(O)(P(=O)(O)O)P(=O)(O)O)N

InChI

InChI=1S/C12H18N4O7P2/c13-11-10(6-7-12(17,24(18,19)20)25(21,22)23)14-15-16(11)8-9-4-2-1-3-5-9/h1-5,17H,6-8,13H2,(H2,18,19,20)(H2,21,22,23)