Registration Dossier

Reference substances

Reference substances

Currently viewing:

General information

Inventory

No inventory information available

Reference substance information

IUPAC name:
hexasodium 4-[3-(2-bromoprop-2-enamido)benzamido]-6-[(E)-2-[5-(2,3-dibromopropanamido)-2-sulfophenyl]diazen-1-yl]-5-hydroxynaphthalene-1,7-disulfonate 6-[(E)-2-[5-(2-bromoprop-2-enamido)-2-sulfophenyl]diazen-1-yl]-4-[3-(2-bromoprop-2-enamido)benzamido]-5-hydroxynaphthalene-1,7-disulfonate
Synonyms
Names:
2,7-Naphthalenedisulfonic acid, 5-[[3-[(2-bromo-1-oxo-2-propenyl) amino]benzoyl]amino]-3-[[5-[(2-bromo-1-oxo -2-propenyl)amino]-2-sulfophenyl]azo]-4-hydroxy-, trisodium salt
2,7-Naphthalenedisulfonic acid, 5-[[3-[(2-bromo-1-oxo-2-propenyl)amino]benzoyl]amino]-3-[[5-[(2-bromo-1-oxo-2-propenyl)amino]-2-sulfophenyl]azo]-4-hydroxy-, trisodium salt
Identifier:
IUPAC name
trisodium 5-({3-[(2-bromoacryloyl)amino]benzoyl}amino)-3-({5-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2,7-disulfonate
Identifier:
other: Molecular formula
C29H21Br2N5O13S3.3Na
Reaction mass of 1,7-Naphthalenedisulfonic acid, 4-[[3-[(2-bromo-1-oxo-2-propen-1-yl)amino]benzoyl]amino]-6-[2-[5-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxy-, sodium salt (1:3) and Trisodium 6-[{5-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl]-4-({3-[(2,3-dibromopropanoyl)amino]benzoyl}amino)-5-hydroxynaphthalene-1,7-disulfonate

Molecular and structural information

Molecular formula:
C29H18Br2N5Na3O13S3 . C29H19Br3N5Na3O13S3
Molecular weight:
>= 969.45 - <= 1 050.36
SMILES notation:
[Na+].[Na+].[Na+].BrC(=C)C(=O)Nc1cccc(c1)C(=O)Nc3cc(cc4cc(c(N=Nc2cc(NC(=O)C(Br)=C)ccc2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O
InChl:
InChI=1/C29H21Br2N5O13S3.3Na/c1-13(30)27(38)32-17-5-3-4-15(8-17)29(40)34-21-12-19(50(41,42)43)9-16-10-23(52(47,48)49)25(26(37)24(16)21)36-35-20-11-18(33-28(39)14(2)31)6-7-22(20)51(44,45)46;;;/h3-12,37H,1-2H2,(H,32,38)(H,33,39)(H,34,40)(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3
Structural formula:
Chemical structure