Analyte Name

Methyl 3-[1-(4-Carboxyphenyl)-3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]-4-hydroxybenzoate

CAS Number

1395346-29-8

Molecular Formula

C23 H17 N3 O6

Molecular Weight

431.398

Accurate Mass

431.112

SMILES

COC(=O)c1ccc(O)c(c1)c2nc(nn2c3ccc(cc3)C(=O)O)c4ccccc4O

InChI

InChI=1S/C23H17N3O6/c1-32-23(31)14-8-11-19(28)17(12-14)21-24-20(16-4-2-3-5-18(16)27)25-26(21)15-9-6-13(7-10-15)22(29)30/h2-12,27-28H,1H3,(H,29,30)

IUPAC

4-[5-(2-hydroxy-5-methoxycarbonylphenyl)-3-(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat