Registration Dossier

General information

Inventory

EC number:
432-550-6
EC name:
-
CAS number:
-
Description:
REAKTIV-ORANGE F 97-0318

No inventory information available

Reference substance information

IUPAC name:
tetrasodium 2-({4-fluoro-6-[methyl({2-[2-(sulfooxy)ethanesulfonyl]ethyl})amino]-1,3,5-triazin-2-yl}amino)-5-hydroxy-6-[2-(4-methyl-2-sulfophenyl)diazen-1-yl]naphthalene-1,7-disulfonate
Synonyms
Names:
Tetrasodium 2-(4-fluoro-6-(methyl-(2-(sulfatoethylsulfonyl)e thyl)amino)-1,3,5-triazin-2-ylamino)-5-hydroxy-6-(4-methyl-2 -sulfonatophenylazo)naphthalene-1,7-disulfonate

CAS information

CAS number:
243858-01-7

Molecular and structural information

Molecular formula:
Hill formula: C25H22FN7Na4O16S5
CAS formula: C25H26FN7O16S5.4Na
Molecular weight:
947.744
SMILES notation:
O=[S](=O)([O-])OCC[S](=O)(=O)CCN(C1=NC(=NC(=N1)F)NC2=C(C3=C(C=C2)C(=C(C(=C3)[S](=O)(=O)[O-])N=NC4=CC=C(C=C4[S](=O)(=O)[O-])C)O)[S](=O)(=O)[O-])C.[Na+].[Na+].[Na+].[Na+]
InChl:
InChI=1S/C25H26FN7O16S5.4Na/c1-13-3-5-16(18(11-13)51(37,38)39)31-32-20-19(52(40,41)42)12-15-14(21(20)34)4-6-17(22(15)53(43,44)45)27-24-28-23(26)29-25(30-24)33(2)7-9-50(35,36)10-8-49-54(46,47)48;;;;/h3-6,11-12,34H,7-10H2,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,27,28,29,30);;;;/q;4*+1/p-4/b32-31+;;;;
Structural formula:
Chemical structure