4-[[3-[(2-Chloroethyl)Sulphonyl]Benzoyl]Amino]-5-Hydroxy-6-[(2-Sulphophenyl)Azo]Naphthalene-1,7-Disulphonic Acid
[CAS# 54518-41-1]

Identification

• Name: 4-[[3-[(2-Chloroethyl)Sulphonyl]Benzoyl]Amino]-5-Hydroxy-6-[(2-Sulphophenyl)Azo]Naphthalene-1,7-Disulphonic Acid
• Synonyms: (6E)-4-[[3-(2-Chloroethylsulfonyl)Benzoyl]Amino]-5-Oxo-6-[(2-Sulfophenyl)Hydrazono]Naphthalene-1,7-Disulfonic Acid; (6E)-4-[[[3-(2-Chloroethylsulfonyl)Phenyl]-Oxomethyl]Amino]-5-Oxo-6-[(2-Sulfophenyl)Hydrazono]Naphthalene-1,7-Disulfonic Acid; (6E)-4-[[3-(2-Chloroethylsulfonyl)Benzoyl]Amino]-5-Keto-6-[(2-Sulfophenyl)Hydrazono]Naphthalene-1,7-Disulfonic Acid
• Molecular Formula: C₂₅H₂₀ClN₃O₁₃S₄
• Molecular Weight: 734.14
• CAS Registry Number: 54518-41-1
• EINECS: 259-196-3
• SMILES: C1=CC(=C3C(=C1[S](O)(=O)=O)C=C([S](O)(=O)=O)/C(=N/NC2=CC=CC=C2[S](O)(=O)=O)C3=O)NC(=O)C4=CC(=CC=C4)[S](=O)(=O)CCCl
• InChI: 1S/C25H20ClN3O13S4/c26-10-11-43(32,33)15-5-3-4-14(12-15)25(31)27-18-8-9-19(44(34,35)36)16-13-21(46(40,41)42)23(24(30)22(16)18)29-28-17-6-1-2-7-20(17)45(37,38)39/h1-9,12-13,28H,10-11H2,(H,27,31)(H,34,35,36)(H,37,38,39)(H,40,41,42)/b29-23-
• InChIKey: ZXRRVYABBYHECX-FAJYDZGRSA-N

Properties

• Density: 1.787g/cm³ (Cal.)