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

Systemtic Name: [1-oxidanyl-3-[4-(phenylmethyl)-1,2,3-triazol-4-yl]-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(4-benzyltriazol-4-yl)-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[4-(phenylmethyl)-4-triazolyl]-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(4-benzyltriazol-4-yl)-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(4-benzyltriazol-4-yl)-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C12H17N3O7P2 MolecularWeight: 377.226802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2(C=NN=N2)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2(C=NN=N2)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H17N3O7P2/c16-12(23(17,18)19,24(20,21)22)7-6-11(9-13-15-14-11)8-10-4-2-1-3-5-10/h1-5,9,16H,6-8H2,(H2,17,18,19)(H2,20,21,22)