2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, trisodium salt

93941-05-0

CAS Name

2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:3)

Molecular Formula

C₂₆H₂₀ClN₇O₁₀S₃.3Na

Other Names and Identifiers

InChI

InChI=1S/C26H20ClN7O10S3.3Na/c1-13-6-2-3-7-16(13)28-25-30-24(27)31-26(32-25)29-18-12-15(45(36,37)38)10-14-11-20(47(42,43)44)22(23(35)21(14)18)34-33-17-8-4-5-9-19(17)46(39,40)41;;;/h2-12,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,28,29,30,31,32);;;

InChIKey

InChIKey=ARSKFAXAXACAGI-UHFFFAOYSA-N

SMILES

N(C=1C2=C(C=C(S(=O)(=O)O)C(N=NC3=C(S(=O)(=O)O)C=CC=C3)=C2O)C=C(S(=O)(=O)O)C1)C=4N=C(NC5=C(C)C=CC=C5)N=C(Cl)N4.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C1=CC=2C=C(C(N=NC=3C=CC=CC3S(=O)(=O)O)=C(O)C2C(=C1)NC=4N=C(Cl)N=C(N4)NC=5C=CC=CC5C)S(=O)(=O)O

Other Names for this Substance