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Reference substances

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IUPAC name:
Tetrasodium 3-amino-4-(4-(4-fluoro-6-(phenyl-(2-(2-sulfonyld ioxyethylsulfonyl)-ethyl)-amino)-1,3,5-triazin-2-ylamino)-2- sulfonato-phenylazo)-5-hydroxy-naphthalene-2,7-disulfonate

Inventory

EC number:
457-630-8
EC name:
-
CAS number:
-
Description:
REAKTIV ROT F00-0314
CAS number:
2041206-19-1

Synonyms

Molecular and structural information

Molecular formula:
Hill formula: C29H23FN8Na4O16S5
Molecular weight:
ca. 1 010.802
SMILES notation:
O=[S](=O)(C2=C(C(=C1C(=CC(=CC1=C2)[S](=O)(=O)[O-])O)N=NC3=CC=C(C=C3[S](=O)(=O)[O-])NC4=NC(=NC(=N4)N(C5=CC=CC=C5)CC[S](=O)(=O)CCO[S](=O)(=O)[O-])F)N)[O-].[Na+].[Na+].[Na+].[Na+]
InChl:
InChI=1S/C29H27FN8O16S5.4Na/c30-27-33-28(35-29(34-27)38(18-4-2-1-3-5-18)8-10-55(40,41)11-9-54-59(51,52)53)32-17-6-7-20(22(14-17)57(45,46)47)36-37-26-24-16(13-23(25(26)31)58(48,49)50)12-19(15-21(24)39)56(42,43)44;;;;/h1-7,12-15,39H,8-11,31H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,32,33,34,35);;;;/q;4*+1/p-4/b37-36+;;;;
Structural formula:
Chemical structure

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