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

Systemtic Name: [1-acetyloxy-5-[4-(phenylmethyl)-1,2,3-triazol-4-yl]-1-phosphono-pentyl]phosphonic acid Openeye Name: [1-acetoxy-5-(4-benzyltriazol-4-yl)-1-phosphono-pentyl]phosphonic acid CAS Name: [1-acetyloxy-5-[4-(phenylmethyl)-4-triazolyl]-1-phosphonopentyl]phosphonic acid IUPAC Name: [1-acetyloxy-5-(4-benzyltriazol-4-yl)-1-phosphonopentyl]phosphonic acid Traditional Name: [1-acetoxy-5-(4-benzyltriazol-4-yl)-1-phosphono-pentyl]phosphonic acid Formula: C16H23N3O8P2 MolecularWeight: 447.316642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCCC1(C=NN=N1)CC2=CC=CC=C2)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(=O)OC(CCCCC1(C=NN=N1)CC2=CC=CC=C2)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C16H23N3O8P2/c1-13(20)27-16(28(21,22)23,29(24,25)26)10-6-5-9-15(12-17-19-18-15)11-14-7-3-2-4-8-14/h2-4,7-8,12H,5-6,9-11H2,1H3,(H2,21,22,23)(H2,24,25,26)