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General information

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Reference substance information

IUPAC name:
tetrasodium 2-[2-(6-{[4-chloro-6-({4-[2-(sulfooxy)ethanesulfonyl]phenyl}amino)-1,3,5-triazin-2-yl]amino}-1-hydroxy-3-sulfonaphthalen-2-yl)diazen-1-yl]naphthalene-1,5-disulfonate
Synonyms
Names:
2-[[6-[[4-Chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-1,5-naphthalenedisulfonic acid tetrasodium salt

CAS information

CAS number:
79809-27-1

Molecular and structural information

Molecular formula:
C31H20ClN7Na4O16S5
Molecular weight:
1 034.275
SMILES notation:
c1cc2c(ccc(c2S(=O)(=O)[O-])N=Nc3c(cc4cc(ccc4c3O)Nc5nc(nc(n5)Cl)Nc6ccc(cc6)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChl:
1S/C31H24ClN7O16S5.4Na/c32-29-35-30(33-17-4-7-19(8-5-17)56(41,42)13-12-55-60(52,53)54)37-31(36-29)34-18-6-9-20-16(14-18)15-25(58(46,47)48)26(27(20)40)39-38-23-11-10-21-22(28(23)59(49,50)51)2-1-3-24(21)57(43,44)45;;;;/h1-11,14-15,40H,12-13H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H2,33,34,35,36,37);;;;/q;4*+1/p-4/b39-38+;;;;
Structural formula:
Chemical structure