1,4-Benzenedisulfonic acid, 2-[[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-5-[[1-(2-chloro-5-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-, trisodium salt

90677-59-1

CAS Name

1,4-Benzenedisulfonic acid, 2-[[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-5-[2-[1-(2-chloro-5-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-, sodium salt (1:3)

Molecular Formula

C₂₃H₂₁Cl₂N₉O₁₁S₃.3Na

Other Names and Identifiers

InChI

InChI=1S/C23H21Cl2N9O11S3.3Na/c1-11-19(20(35)34(32-11)16-8-12(46(36,37)38)2-3-13(16)24)31-30-15-10-17(47(39,40)41)14(9-18(15)48(42,43)44)26-22-27-21(25)28-23(29-22)33-4-6-45-7-5-33;;;/h2-3,8-10,19H,4-7H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,26,27,28,29);;;

InChIKey

InChIKey=ZOBPPBZRMKFGAU-UHFFFAOYSA-N

SMILES

O=C1N(N=C(C)C1N=NC2=C(S(=O)(=O)O)C=C(NC=3N=C(N=C(Cl)N3)N4CCOCC4)C(S(=O)(=O)O)=C2)C5=CC(S(=O)(=O)O)=CC=C5Cl.[Na]

Canonical SMILES

[Na].O=C1N(N=C(C)C1N=NC=2C=C(C(=CC2S(=O)(=O)O)NC3=NC(Cl)=NC(=N3)N4CCOCC4)S(=O)(=O)O)C5=CC(=CC=C5Cl)S(=O)(=O)O

Other Names for this Substance