[1,1′-Biphenyl]-3-sulfonic acid, 4-[[3-[[1-(2-chloro-5-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoyl]amino]-4′-[(2,5,6-trichloro-4-pyrimidinyl)amino]-, disodium salt

CAS Name

[1,1′-Biphenyl]-3-sulfonic acid, 4-[[3-[2-[1-(2-chloro-5-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]benzoyl]amino]-4′-[(2,5,6-trichloro-4-pyrimidinyl)amino]-, sodium salt (1:2)

Molecular Formula

C₃₃H₂₂Cl₄N₈O₈S₂.2Na

Molecular Mass

910.50

Other Names and Identifiers

InChI

InChI=1S/C33H22Cl4N8O8S2.2Na/c1-16-28(32(47)45(44-16)25-15-22(54(48,49)50)10-11-23(25)34)43-42-21-4-2-3-19(13-21)31(46)39-24-12-7-18(14-26(24)55(51,52)53)17-5-8-20(9-6-17)38-30-27(35)29(36)40-33(37)41-30;;/h2-15,28H,1H3,(H,39,46)(H,38,40,41)(H,48,49,50)(H,51,52,53);;

InChIKey

InChIKey=XARUFFCGNYOIRU-UHFFFAOYSA-N

Canonical SMILES

[Na].O=C(NC1=CC=C(C=C1S(=O)(=O)O)C=2C=CC(=CC2)NC=3N=C(Cl)N=C(Cl)C3Cl)C=4C=CC=C(N=NC5C(=O)N(N=C5C)C6=CC(=CC=C6Cl)S(=O)(=O)O)C4

Other Names for this Substance