1H-Pyrazole-3-carboxylic acid, 4-[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]azo]-1-(2-chlorophenyl)-4,5-dihydro-5-oxo-, sodium salt

99670-22-1

CAS Name

1H-Pyrazole-3-carboxylic acid, 4-[2-[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-1-(2-chlorophenyl)-4,5-dihydro-5-oxo-, sodium salt (1:?)

Molecular Formula

C₁₉H₁₃Cl₂N₉O₆S.xNa

Other Names and Identifiers

InChI

InChI=1S/C19H13Cl2N9O6S.Na/c20-9-3-1-2-4-11(9)30-15(31)13(14(29-30)16(32)33)28-27-10-7-8(5-6-12(10)37(34,35)36)23-19-25-17(21)24-18(22)26-19;/h1-7,13H,(H,32,33)(H,34,35,36)(H3,22,23,24,25,26);

InChIKey

InChIKey=WTJJWYXUNXYRBI-UHFFFAOYSA-N

SMILES

O=C1N(N=C(C(O)=O)C1N=NC2=C(S(=O)(=O)O)C=CC(NC=3N=C(Cl)N=C(N)N3)=C2)C4=C(Cl)C=CC=C4.[Na]

Canonical SMILES

[Na].O=C(O)C1=NN(C(=O)C1N=NC2=CC(=CC=C2S(=O)(=O)O)NC=3N=C(Cl)N=C(N3)N)C=4C=CC=CC4Cl

Other Names for this Substance