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

Systemtic Name: [1-oxidanyl-4-[1-(phenylmethyl)-1,2,3-triazol-4-yl]-1-phosphono-butyl]phosphonic acid Openeye Name: [4-(1-benzyltriazol-4-yl)-1-hydroxy-1-phosphono-butyl]phosphonic acid CAS Name: [1-hydroxy-4-[1-(phenylmethyl)-4-triazolyl]-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-(1-benzyltriazol-4-yl)-1-hydroxy-1-phosphonobutyl]phosphonic acid Traditional Name: [4-(1-benzyltriazol-4-yl)-1-hydroxy-1-phosphono-butyl]phosphonic acid Formula: C13H19N3O7P2 MolecularWeight: 391.253382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O7P2/c17-13(24(18,19)20,25(21,22)23)8-4-7-12-10-16(15-14-12)9-11-5-2-1-3-6-11/h1-3,5-6,10,17H,4,7-9H2,(H2,18,19,20)(H2,21,22,23)