Trisodium 5-[[3-[(2-Bromo-1-Oxoallyl)Amino]Benzoyl]Amino]-3-[[5-[(2-Bromo-1-Oxoallyl)Amino]-2-Sulphonatophenyl]Azo]-4-Hydroxynaphthalene-2,7-Disulphonate
[CAS# 70210-01-4]

Identification

• Name: Trisodium 5-[[3-[(2-Bromo-1-Oxoallyl)Amino]Benzoyl]Amino]-3-[[5-[(2-Bromo-1-Oxoallyl)Amino]-2-Sulphonatophenyl]Azo]-4-Hydroxynaphthalene-2,7-Disulphonate
• Synonyms: Trisodium (3Z)-5-[[3-(2-Bromoprop-2-Enoylamino)Benzoyl]Amino]-3-[[5-(2-Bromoprop-2-Enoylamino)-2-Sulfonato-Phenyl]Hydrazono]-4-Oxo-Naphthalene-2,7-Disulfonate; Trisodium (3Z)-5-[[[3-[(2-Bromo-1-Oxoprop-2-Enyl)Amino]Phenyl]-Oxomethyl]Amino]-3-[[5-[(2-Bromo-1-Oxoprop-2-Enyl)Amino]-2-Sulfonatophenyl]Hydrazono]-4-Oxonaphthalene-2,7-Disulfonate; Trisodium (3Z)-5-[[3-[(2-Bromoacryloyl)Amino]Benzoyl]Amino]-3-[[5-[(2-Bromoacryloyl)Amino]-2-Sulfonato-Phenyl]Hydrazono]-4-Keto-Naphthalene-2,7-Disulfonate
• Molecular Formula: C₂₉H₁₈Br₂N₅Na₃O₁₃S₃
• Molecular Weight: 969.44
• CAS Registry Number: 70210-01-4
• EINECS: 274-399-7
• SMILES: C2=C([S]([O-])(=O)=O)C=C(NC(=O)C1=CC(=CC=C1)NC(=O)C(Br)=C)C4=C2C=C([S]([O-])(=O)=O)\C(=N/NC3=C([S]([O-])(=O)=O)C=CC(=C3)NC(=O)C(Br)=C)C4=O.[Na+].[Na+].[Na+]
• InChI: 1S/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;;;/h3-12,35H,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/b36-25+
• InChIKey: LBHOWIKQMMGKSS-KTINOIRHSA-K