1,5-Naphthalenedisulfonic acid, 3-[[2-(acetylamino)-4-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]azo]-, disodium salt

CAS Name

1,5-Naphthalenedisulfonic acid, 3-[2-[2-(acetylamino)-4-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:2)

Molecular Formula

C₂₇H₂₇FN₈O₁₀S₃.2Na

Other Names and Identifiers

InChI

InChI=1S/C27H27FN8O10S3.2Na/c1-3-47(38,39)12-11-46-10-9-29-26-32-25(28)33-27(34-26)31-17-7-8-21(22(14-17)30-16(2)37)36-35-18-13-20-19(24(15-18)49(43,44)45)5-4-6-23(20)48(40,41)42;;/h3-8,13-15H,1,9-12H2,2H3,(H,30,37)(H,40,41,42)(H,43,44,45)(H2,29,31,32,33,34);;

InChIKey

InChIKey=VMUICASHGBKDOM-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C=1C2=C(C(S(=O)(=O)O)=CC(N=NC3=C(NC(C)=O)C=C(NC=4N=C(NCCOCCS(C=C)(=O)=O)N=C(F)N4)C=C3)=C2)C=CC1.[Na]

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(F)=NC(=N4)NCCOCCS(=O)(=O)C=C)C

Other Names for this Substance