1H-Pyrazole-3-carboxylic acid, 4-[[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt

85536-88-5

CAS Name

1H-Pyrazole-3-carboxylic acid, 4-[2-[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:?)

Molecular Formula

C₂₀H₂₀N₄O₁₄S₃.xNa

Other Names and Identifiers

InChI

InChI=1S/C20H20N4O14S3.Na/c1-36-14-10-16(39(28,29)8-7-38-41(33,34)35)15(37-2)9-13(14)21-22-17-18(20(26)27)23-24(19(17)25)11-3-5-12(6-4-11)40(30,31)32;/h3-6,9-10,17H,7-8H2,1-2H3,(H,26,27)(H,30,31,32)(H,33,34,35);

InChIKey

InChIKey=ZQBCIGTXJACHLB-UHFFFAOYSA-N

SMILES

O=C1N(N=C(C(O)=O)C1N=NC2=C(OC)C=C(S(CCOS(=O)(=O)O)(=O)=O)C(OC)=C2)C3=CC=C(S(=O)(=O)O)C=C3.[Na]

Canonical SMILES

[Na].O=C(O)C1=NN(C(=O)C1N=NC=2C=C(OC)C(=CC2OC)S(=O)(=O)CCOS(=O)(=O)O)C3=CC=C(C=C3)S(=O)(=O)O

Other Names for this Substance