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

85631-77-2

CAS Name

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

Molecular Formula

C₂₇H₂₂ClN₇O₁₁S₃.3Na

Other Names and Identifiers

InChI

InChI=1S/C27H22ClN7O11S3.3Na/c1-35(15-6-4-3-5-7-15)27-31-25(28)30-26(32-27)29-19-13-17(47(37,38)39)10-14-11-21(49(43,44)45)23(24(36)22(14)19)34-33-18-9-8-16(46-2)12-20(18)48(40,41)42;;;/h3-13,36H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32);;;

InChIKey

InChIKey=KDCLAHNGJZWFOJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

[Na].O=S(=O)(O)C1=CC=2C=C(C(N=NC3=CC=C(OC)C=C3S(=O)(=O)O)=C(O)C2C(=C1)NC4=NC(Cl)=NC(=N4)N(C=5C=CC=CC5)C)S(=O)(=O)O

Other Names for this Substance