2-Anthracenesulfonic acid, 1-amino-4-[[2-[[[4-chloro-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]amino]methyl]-4-methyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, disodium salt

84100-76-5

CAS Name

2-Anthracenesulfonic acid, 1-amino-4-[[2-[[[4-chloro-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]amino]methyl]-4-methyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)

Molecular Formula

C₂₈H₂₅ClN₆O₁₀S₂.2Na

Other Names and Identifiers

InChI

InChI=1S/C28H25ClN6O10S2.2Na/c1-13-9-14(12-31-27-33-26(29)34-28(35-27)45-8-7-44-2)17(10-19(13)46(38,39)40)32-18-11-20(47(41,42)43)23(30)22-21(18)24(36)15-5-3-4-6-16(15)25(22)37;;/h3-6,9-11,32H,7-8,12,30H2,1-2H3,(H,38,39,40)(H,41,42,43)(H,31,33,34,35);;

InChIKey

InChIKey=QKKDZKWLCWORNK-UHFFFAOYSA-N

SMILES

N(C1=C2C(C(=O)C=3C(C2=O)=CC=CC3)=C(N)C(S(=O)(=O)O)=C1)C4=C(CNC=5N=C(OCCOC)N=C(Cl)N5)C=C(C)C(S(=O)(=O)O)=C4.[Na]

Canonical SMILES

[Na].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC=4C=C(C(=CC4CNC=5N=C(Cl)N=C(N5)OCCOC)C)S(=O)(=O)O)=C13)S(=O)(=O)O

Other Names for this Substance