3-Pyridinemethanesulfonic acid, 5-[[5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-, trisodium salt

89923-43-3

CAS Name

3-Pyridinemethanesulfonic acid, 5-[2-[5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-, sodium salt (1:3)

Molecular Formula

C₂₄H₂₃ClN₈O₁₁S₃.3Na

Other Names and Identifiers

InChI

InChI=1S/C24H23ClN8O11S3.3Na/c1-3-33-20(34)16(11-45(36,37)38)12(2)19(21(33)35)32-31-17-10-14(7-8-18(17)47(42,43)44)27-24-29-22(25)28-23(30-24)26-13-5-4-6-15(9-13)46(39,40)41;;;/h4-10,34H,3,11H2,1-2H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,26,27,28,29,30);;;

InChIKey

InChIKey=MSBNMCZXKDCCQN-UHFFFAOYSA-N

SMILES

N(=NC1=C(S(=O)(=O)O)C=CC(NC=2N=C(NC3=CC(S(=O)(=O)O)=CC=C3)N=C(Cl)N2)=C1)C4=C(C)C(CS(=O)(=O)O)=C(O)N(CC)C4=O.[Na]

Canonical SMILES

[Na].O=C1C(N=NC2=CC(=CC=C2S(=O)(=O)O)NC=3N=C(Cl)N=C(N3)NC4=CC=CC(=C4)S(=O)(=O)O)=C(C(=C(O)N1CC)CS(=O)(=O)O)C

Other Names for this Substance