4-[[4-(3-diphenylphosphorylpropanoyloxymethyl)-1,2,3-triazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-(3-diphenylphosphorylpropanoyloxymethyl)-1,2,3-triazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[4-(3-diphenylphosphorylpropanoyloxymethyl)triazol-1-yl]methyl]benzoic acid CAS Name: 4-[[4-[(3-diphenylphosphoryl-1-oxopropoxy)methyl]-1-triazolyl]methyl]benzoic acid IUPAC Name: 4-[[4-(3-diphenylphosphorylpropanoyloxymethyl)triazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[4-(3-diphenylphosphorylpropanoyloxymethyl)triazol-1-yl]methyl]benzoic acid Formula: C26H24N3O5P MolecularWeight: 489.459621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=O)(CCC(=O)OCC2=CN(N=N2)CC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)P(=O)(CCC(=O)OCC2=CN(N=N2)CC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H24N3O5P/c30-25(15-16-35(33,23-7-3-1-4-8-23)24-9-5-2-6-10-24)34-19-22-18-29(28-27-22)17-20-11-13-21(14-12-20)26(31)32/h1-14,18H,15-17,19H2,(H,31,32)