Disodium 2-[4-[[(E)-2-Cyano-3-[4-(Methyl-(2-Sulfonatoethyl)Amino)Phenyl]Prop-2-Enoyl]Amino]Phenyl]-6-Methyl-1,3-Benzothiazole-7-Sulfonate
[CAS# 2498-95-5]

Identification

• Name: Disodium 2-[4-[[(E)-2-Cyano-3-[4-(Methyl-(2-Sulfonatoethyl)Amino)Phenyl]Prop-2-Enoyl]Amino]Phenyl]-6-Methyl-1,3-Benzothiazole-7-Sulfonate
• Synonyms: Disodium 2-[4-[[(E)-2-Cyano-3-[4-(Methyl-(2-Sulfonatoethyl)Amino)Phenyl]-1-Oxoprop-2-Enyl]Amino]Phenyl]-6-Methyl-1,3-Benzothiazole-7-Sulfonate; Disodium 2-[4-[[(E)-2-Cyano-3-[4-(Methyl-(2-Sulfonatoethyl)Amino)Phenyl]Acryloyl]Amino]Phenyl]-6-Methyl-1,3-Benzothiazole-7-Sulfonate; 7-Benzothiazolesulfonic Acid, 2-(4-((2-Cyano-3-(4-(Methyl(2-Sulfoethyl)Amino)Phenyl)-1-Oxo-2-Propenyl)Amino)Phenyl)-6-Methyl-, Disodium Salt
• Molecular Formula: C₂₇H₂₂N₄Na₂O₇S₃
• Molecular Weight: 656.65
• CAS Registry Number: 2498-95-5
• EINECS: 219-694-3
• SMILES: C2=C1N=C(SC1=C([S]([O-])(=O)=O)C(=C2)C)C4=CC=C(NC(=O)\C(=C\C3=CC=C(N(CC[S]([O-])(=O)=O)C)C=C3)C#N)C=C4.[Na+].[Na+]
• InChI: 1S/C27H24N4O7S3.2Na/c1-17-3-12-23-24(25(17)41(36,37)38)39-27(30-23)19-6-8-21(9-7-19)29-26(32)20(16-28)15-18-4-10-22(11-5-18)31(2)13-14-40(33,34)35;;/h3-12,15H,13-14H2,1-2H3,(H,29,32)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/b20-15+
• InChIKey: RXTSUBROMXGEJZ-ZAWKPCBGSA-L