5-[[4-[(2-Bromo-1-Oxoallyl)Amino]Benzoyl]Amino]-3-[[5-[(2-Bromo-1-Oxoallyl)Amino]-2-Sulphophenyl]Azo]-4-Hydroxynaphthalene-2,7-Disulphonic Acid
[CAS# 68252-85-7]

Identification

• Name: 5-[[4-[(2-Bromo-1-Oxoallyl)Amino]Benzoyl]Amino]-3-[[5-[(2-Bromo-1-Oxoallyl)Amino]-2-Sulphophenyl]Azo]-4-Hydroxynaphthalene-2,7-Disulphonic Acid
• Synonyms: (3E)-5-[[4-(2-Bromoprop-2-Enoylamino)Benzoyl]Amino]-3-[[5-(2-Bromoprop-2-Enoylamino)-2-Sulfo-Phenyl]Hydrazono]-4-Oxo-Naphthalene-2,7-Disulfonic Acid; (3E)-5-[[[4-[(2-Bromo-1-Oxoprop-2-Enyl)Amino]Phenyl]-Oxomethyl]Amino]-3-[[5-[(2-Bromo-1-Oxoprop-2-Enyl)Amino]-2-Sulfophenyl]Hydrazono]-4-Oxonaphthalene-2,7-Disulfonic Acid; (3E)-5-[[4-[(2-Bromoacryloyl)Amino]Benzoyl]Amino]-3-[[5-[(2-Bromoacryloyl)Amino]-2-Sulfo-Phenyl]Hydrazono]-4-Keto-Naphthalene-2,7-Disulfonic Acid
• Molecular Formula: C₂₉H₂₁Br₂N₅O₁₃S₃
• Molecular Weight: 903.50
• CAS Registry Number: 68252-85-7
• EINECS: 269-485-6
• SMILES: C2=C([S](O)(=O)=O)C=C(NC(=O)C1=CC=C(NC(=O)C(Br)=C)C=C1)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
• InChI: 1S/C29H21Br2N5O13S3/c1-13(30)27(38)32-17-5-3-15(4-6-17)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)7-8-22(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)/b36-25-
• InChIKey: SUFLWQZGSKQHFD-LAKKEJQSSA-N

Properties

• Density: 1.912g/cm³ (Cal.)