1,3-Benzenedisulfonic acid, 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-6-[[4-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]-6-chloro-1,3,5-triazin-2-yl]amino]-, trisodium salt

CAS Name

1,3-Benzenedisulfonic acid, 4-[2-[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]-6-[[4-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]-6-chloro-1,3,5-triazin-2-yl]amino]-, sodium salt (1:3)

Molecular Formula

C₂₇H₂₃Cl₂N₁₃O₁₂S₃.3Na

Molecular Mass

957.63

Other Names and Identifiers

InChI

InChI=1S/C27H23Cl2N13O12S3.3Na/c1-3-42-21(44)17(19(30)43)9(2)18(22(42)45)41-40-13-7-12(15(56(49,50)51)8-16(13)57(52,53)54)33-26-35-20(34-23(28)37-26)10-4-5-14(55(46,47)48)11(6-10)32-27-38-24(29)36-25(31)39-27;;;/h4-8,45H,3H2,1-2H3,(H2,30,43)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,33,34,35,37)(H3,31,32,36,38,39);;;

InChIKey

InChIKey=FVIFQSBQZUFFHL-UHFFFAOYSA-N

Canonical SMILES

[Na].O=C(N)C=1C(=O)N(C(O)=C(N=NC=2C=C(NC3=NC(Cl)=NC(=N3)C=4C=CC(=C(C4)NC=5N=C(Cl)N=C(N5)N)S(=O)(=O)O)C(=CC2S(=O)(=O)O)S(=O)(=O)O)C1C)CC

Other Names for this Substance