Reaction mass of Trisodium 4-({4-chloro-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-{[1-ethyl-2-hydroxy-4-methyl-6-oxo-5-(sulfonatomethyl)-1,6-dihydropyridin-3-yl]diazenyl}benzenesulfonate and Trisodium 4-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-{[1-ethyl-2-hydroxy-4-methyl-6-oxo-5-(sulfonatomethyl)-1,6-dihydropyridin-3-yl]diazenyl}benzenesulfonate

Reference substances

IUPAC name:

trisodium 4-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-{[1-ethyl-2-hydroxy-4-methyl-6-oxo-5-(sulfonatomethyl)-1,6-dihydropyridin-3-yl]diazenyl}benzenesulfonate

Inventory

EC number:

281-865-3

EC name:

Trisodium 5-[[5-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxopyridine-3-methanesulphonate

CAS number:

84045-63-6

CAS number:

84045-63-6

Synonyms

Names:

Identifier:

IUPAC name

trisodium;4-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[2-[1-ethyl-4-methyl-2,6-dioxo-5-(sulfonatomethyl)pyridin-3-ylidene]hydrazinyl]benzenesulfonate

Molecular and structural information

Molecular formula:

C24H23ClN8O11S3.3Na

Molecular weight:

797.08

SMILES notation:

[Na+].[Na+].[Na+].O=C4C(/CS([O-])(=O)=O)=C(/C)\C(\N=Nc3cc(Nc2nc(Nc1cccc(c1)S([O-])(=O)=O)nc(Cl)n2)ccc3S([O-])(=O)=O)=C(\O)N4CC

InChl:

InChI=1/C24H23ClN8O11S3.3Na/c1-3-33-20(34)16(11-45(36,37)38)12(2)19(21(33)35)32-31-17-10-14(7-8-18(17)47(42,43)44)27-24-29-22(25)28-23(30-24)26-13-5-4-6-15(9-13)46(39,40)41;;;/h4-10,35H,3,11H2,1-2H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,26,27,28,29,30);;;/q;3*+1/p-3

Structural formula: