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

Systemtic Name: [1-oxidanyl-5-[4-(phenylmethyl)-1,2,3-triazol-4-yl]-1-phosphono-pentyl]phosphonic acid Openeye Name: [5-(4-benzyltriazol-4-yl)-1-hydroxy-1-phosphono-pentyl]phosphonic acid CAS Name: [1-hydroxy-5-[4-(phenylmethyl)-4-triazolyl]-1-phosphonopentyl]phosphonic acid IUPAC Name: [5-(4-benzyltriazol-4-yl)-1-hydroxy-1-phosphonopentyl]phosphonic acid Traditional Name: [5-(4-benzyltriazol-4-yl)-1-hydroxy-1-phosphono-pentyl]phosphonic acid Formula: C14H21N3O7P2 MolecularWeight: 405.279962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O7P2/c18-14(25(19,20)21,26(22,23)24)9-5-4-8-13(11-15-17-16-13)10-12-6-2-1-3-7-12/h1-3,6-7,11,18H,4-5,8-10H2,(H2,19,20,21)(H2,22,23,24)