Tetrasodium 2-[[8-[[[[3-[(2-Chloroethyl)Sulphonyl]Phenyl]Amino]Carbonyl]Amino]-1-Hydroxy-3,6-Disulphonato-2-Naphthyl]Azo]Naphthalene-1,5-Disulphonate
[CAS# 94109-42-9]

Identification

• Name: Tetrasodium 2-[[8-[[[[3-[(2-Chloroethyl)Sulphonyl]Phenyl]Amino]Carbonyl]Amino]-1-Hydroxy-3,6-Disulphonato-2-Naphthyl]Azo]Naphthalene-1,5-Disulphonate
• Synonyms: Tetrasodium (3E)-5-[[3-(2-Chloroethylsulfonyl)Phenyl]Carbamoylamino]-3-[(1,5-Disulfonato-2-Naphthyl)Hydrazono]-4-Oxo-Naphthalene-2,7-Disulfonate; Tetrasodium (3E)-5-[[[[3-(2-Chloroethylsulfonyl)Phenyl]Amino]-Oxomethyl]Amino]-3-[(1,5-Disulfonato-2-Naphthyl)
• Molecular Formula: C₂₉H₁₉ClN₄Na₄O₁₆S₅
• Molecular Weight: 967.20
• CAS Registry Number: 94109-42-9
• EINECS: 302-483-6
• SMILES: C2=C([S]([O-])(=O)=O)C=C(NC(=O)NC1=CC(=CC=C1)[S](=O)(=O)CCCl)C5=C2C=C([S]([O-])(=O)=O)/C(=N/NC4=C([S]([O-])(=O)=O)C3=C(C(=CC=C3)[S]([O-])(=O)=O)C=C4)C5=O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C29H23ClN4O16S5.4Na/c30-9-10-51(37,38)17-4-1-3-16(13-17)31-29(36)32-22-14-18(52(39,40)41)11-15-12-24(54(45,46)47)26(27(35)25(15)22)34-33-21-8-7-19-20(28(21)55(48,49)50)5-2-6-23(19)53(42,43)44;;;;/h1-8,11-14,33H,9-10H2,(H2,31,32,36)(H,39,40,41)(H,42,43,
• InChIKey: GSZFMCIXGFCLMO-QOQPJHNSSA-J