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

Systemtic Name: [5-[5-azanyl-1-(phenylmethyl)-1,2,3-triazol-4-yl]-1-oxidanyl-1-phosphono-pentyl]phosphonic acid Openeye Name: [5-(5-amino-1-benzyl-triazol-4-yl)-1-hydroxy-1-phosphono-pentyl]phosphonic acid CAS Name: [5-[5-amino-1-(phenylmethyl)-4-triazolyl]-1-hydroxy-1-phosphonopentyl]phosphonic acid IUPAC Name: [5-(5-amino-1-benzyltriazol-4-yl)-1-hydroxy-1-phosphonopentyl]phosphonic acid Traditional Name: [5-(5-amino-1-benzyl-triazol-4-yl)-1-hydroxy-1-phosphono-pentyl]phosphonic acid Formula: C14H22N4O7P2 MolecularWeight: 420.294602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O7P2/c15-13-12(16-17-18(13)10-11-6-2-1-3-7-11)8-4-5-9-14(19,26(20,21)22)27(23,24)25/h1-3,6-7,19H,4-5,8-10,15H2,(H2,20,21,22)(H2,23,24,25)