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General information

Inventory

EC number:
274-410-5
EC name:
Trisodium 2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulphonatonaphthyl]azo]-2,5-dimethylphenyl]azo]benzene-1,4-disulphonate
CAS number:
70210-13-8

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Reference substance information

IUPAC name:
trisodium 2-[(E)-2-{4-[(E)-2-{4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonatonaphthalen-1-yl}diazen-1-yl]-2,5-dimethylphenyl}diazen-1-yl]benzene-1,4-disulfonate
Synonyms
Names:
1,4-Benzenedisulfonic acid, 2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfo-1-naphthalenyl]azo]-2,5-dimethylphenyl]azo]-, trisodium salt
Identifier:
CAS number
70210-13-8
trisodium 2-{[4-({4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonato-1-naphthyl}diazenyl)-2,5-dimethylphenyl]diazenyl}benzene-1,4-disulfonate

CAS information

CAS number:
70210-13-8

Molecular and structural information

Molecular formula:
C27H22ClN9O9S3.3Na
Molecular weight:
ca. 814.1
SMILES notation:
[Na+].[Na+].[Na+].Nc5nc(Nc4ccc(N=Nc2cc(C)c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)cc2C)c3cccc(c34)S([O-])(=O)=O)nc(Cl)n5
InChl:
InChI=1/C27H22ClN9O9S3.3Na/c1-13-11-20(36-37-21-12-15(47(38,39)40)6-9-22(21)48(41,42)43)14(2)10-19(13)35-34-17-7-8-18(30-27-32-25(28)31-26(29)33-27)24-16(17)4-3-5-23(24)49(44,45)46;;;/h3-12H,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H3,29,30,31,32,33);;;/q;3*+1/p-3
Structural formula:
Chemical structure