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

85567-10-8

CAS Name

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

Molecular Formula

C₁₈H₁₆N₄O₁₂S₃.xNa

Other Names and Identifiers

InChI

InChI=1S/C18H16N4O12S3.Na/c23-17-15(16(18(24)25)21-22(17)12-3-7-14(8-4-12)36(28,29)30)20-19-11-1-5-13(6-2-11)35(26,27)10-9-34-37(31,32)33;/h1-8,15H,9-10H2,(H,24,25)(H,28,29,30)(H,31,32,33);

InChIKey

InChIKey=RQEUZGXLNXFGEN-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

[Na].O=C(O)C1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)C3=CC=C(C=C3)S(=O)(=O)O

Other Names for this Substance