1,5-Naphthalenedisulfonic acid, 3-[[2-(acetylamino)-4-[[4-chloro-6-[(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-, trisodium salt

CAS Name

1,5-Naphthalenedisulfonic acid, 3-[2-[2-(acetylamino)-4-[[4-chloro-6-[(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:3)

Molecular Formula

C₂₃H₂₁ClN₈O₁₀S₃.3Na

Molecular Mass

770.08

Other Names and Identifiers

InChI

InChI=1S/C23H21ClN8O10S3.3Na/c1-12(33)26-18-10-13(27-23-29-21(24)28-22(30-23)25-7-8-43(34,35)36)5-6-17(18)32-31-14-9-16-15(20(11-14)45(40,41)42)3-2-4-19(16)44(37,38)39;;;/h2-6,9-11H,7-8H2,1H3,(H,26,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H2,25,27,28,29,30);;;

InChIKey

InChIKey=ZQHLTCMRUHEFDB-UHFFFAOYSA-N

Canonical SMILES

[Na].O=C(NC1=CC(=CC=C1N=NC=2C=C3C(C=CC=C3S(=O)(=O)O)=C(C2)S(=O)(=O)O)NC4=NC(Cl)=NC(=N4)NCCS(=O)(=O)O)C

Other Names for this Substance