Trisodium 4-(Acetylamino)-6-[[5-[(2-Bromo-1-Oxoallyl)Amino]-2-Sulphonatophenyl]Azo]-5-Hydroxynaphthalene-1,7-Disulphonate
[CAS# 70224-86-1]

Identification

• Name: Trisodium 4-(Acetylamino)-6-[[5-[(2-Bromo-1-Oxoallyl)Amino]-2-Sulphonatophenyl]Azo]-5-Hydroxynaphthalene-1,7-Disulphonate
• Synonyms: Trisodium (6Z)-4-Acetamido-6-[[5-(2-Bromoprop-2-Enoylamino)-2-Sulfonato-Phenyl]Hydrazono]-5-Oxo-Naphthalene-1,7-Disulfonate; Trisodium (6Z)-4-Acetamido-6-[[5-[(2-Bromo-1-Oxoprop-2-Enyl)Amino]-2-Sulfonatophenyl]Hydrazono]-5-Oxonaphthalene-1,7-Disulfonate; Trisodium (6Z)-4-Acetamido-6-[[5-[(2-Bromoacryloyl)Amino]-2-Sulfonato-Phenyl]Hydrazono]-5-Keto-Naphthalene-1,7-Disulfonate
• Molecular Formula: C₂₁H₁₄BrN₄Na₃O₁₂S₃
• Molecular Weight: 759.41
• CAS Registry Number: 70224-86-1
• EINECS: 274-457-1
• SMILES: C1=CC(=C3C(=C1[S]([O-])(=O)=O)C=C([S]([O-])(=O)=O)\C(=N/NC2=C([S]([O-])(=O)=O)C=CC(=C2)NC(=O)C(Br)=C)C3=O)NC(=O)C.[Na+].[Na+].[Na+]
• InChI: 1S/C21H17BrN4O12S3.3Na/c1-9(22)21(29)24-11-3-5-16(40(33,34)35)14(7-11)25-26-19-17(41(36,37)38)8-12-15(39(30,31)32)6-4-13(23-10(2)27)18(12)20(19)28;;;/h3-8,25H,1H2,2H3,(H,23,27)(H,24,29)(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/b26-19+
• InChIKey: ZUJRCVHJSQQPJL-NILJKECKSA-K