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Reference substances

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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:
Chemical structure

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