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Reference substances

Reference substances

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General information

Inventory

EC number:
235-466-6
EC name:
Trisodium 7-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]methylamino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate
CAS number:
12237-01-3

No inventory information available

Reference substance information

IUPAC name:
Trisodium 7-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]methylamino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate
Synonyms
Names:
Identifier:
common name
Reactive Red 33

CAS information

CAS number:
12237-01-3

Molecular and structural information

Molecular formula:
C27H22ClN7O11S3.3Na
Molecular weight:
818.106
SMILES notation:
[Na+].[Na+].[Na+].c1c(c(c(c2ccc(cc12)N(C)c1nc(nc(n1)Cl)Nc1ccc(cc1)S(=O)(=O)[O-])O)\N=N\c1c(cc(cc1)OC)S(=O)(=O)[O-])S(=O)(=O)[O-]
InChl:
1S/C27H22ClN7O11S3.3Na/c1-35(27-31-25(28)30-26(32-27)29-15-3-7-18(8-4-15)47(37,38)39)16-5-9-19-14(11-16)12-22(49(43,44)45)23(24(19)36)34-33-20-10-6-17(46-2)13-21(20)48(40,41)42;;;/h3-13,36H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32);;;/q;3*+1/p-3/b34-33+;;;
Structural formula:
Chemical structure