Sodium 4-​(3-​(Ethoxycarbonyl)​-​5-​oxo-​4,​5-​dihydro-​1H-​pyrazol-​1-​yl)​benzenesulfonate

Analyte Name

Sodium 4-(3-(Ethoxycarbonyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate

CAS Number

20514-27-6

Molecular Formula

C12H12N2O6S • Na

Molecular Weight

335.29

Accurate Mass

335.03

SMILES

[Na].O=C(OCC)C1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C12H12N2O6S.Na/c1-2-20-12(16)10-7-11(15)14(13-10)8-3-5-9(6-4-8)21(17,18)19;/h3-6H,2,7H2,1H3,(H,17,18,19);

IUPAC

4-(3-(ethoxycarbonyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid, sodium salt

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat