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

Systemtic Name: [1-azanyl-5-[4-(phenylmethyl)-1,2,3-triazol-4-yl]-1-phosphono-pentyl]phosphonic acid Openeye Name: [1-amino-5-(4-benzyltriazol-4-yl)-1-phosphono-pentyl]phosphonic acid CAS Name: [1-amino-5-[4-(phenylmethyl)-4-triazolyl]-1-phosphonopentyl]phosphonic acid IUPAC Name: [1-amino-5-(4-benzyltriazol-4-yl)-1-phosphonopentyl]phosphonic acid Traditional Name: [1-amino-5-(4-benzyltriazol-4-yl)-1-phosphono-pentyl]phosphonic acid Formula: C14H22N4O6P2 MolecularWeight: 404.295202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O6P2/c15-14(25(19,20)21,26(22,23)24)9-5-4-8-13(11-16-18-17-13)10-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10,15H2,(H2,19,20,21)(H2,22,23,24)