Sodium 5-[[5-(Benzoylamino)-2-[[1-(4-Ethoxy-3-Sulphophenyl)-3-Heptadecyl-4,5-Dihydro-4-Methyl-5-Oxo-1H-Pyrazol-4-Yl]Azo]Phenyl]Sulphonyl]Salicylate
[CAS# 94087-62-4]

Identification

• Name: Sodium 5-[[5-(Benzoylamino)-2-[[1-(4-Ethoxy-3-Sulphophenyl)-3-Heptadecyl-4,5-Dihydro-4-Methyl-5-Oxo-1H-Pyrazol-4-Yl]Azo]Phenyl]Sulphonyl]Salicylate
• Synonyms: Sodium 5-[5-(Benzoylamino)-2-[1-(4-Ethoxy-3-Sulfo-Phenyl)-3-Heptadecyl-4-Methyl-5-Oxo-Pyrazol-4-Yl]Azo-Phenyl]Sulfonyl-2-Hydroxy-Benzoate; Sodium 5-[2-[[1-(4-Ethoxy-3-Sulfophenyl)-3-Heptadecyl-4-Methyl-5-Oxo-4-Pyrazolyl]Azo]-5-[(Oxo-Phenylmethyl)Amino]Phen
• Molecular Formula: C₄₉H₆₀N₅NaO₁₁S₂
• Molecular Weight: 982.15
• CAS Registry Number: 94087-62-4
• EINECS: 301-954-3
• SMILES: C5=C(N4N=C(C(N=NC3=C([S](=O)(=O)C1=CC(=C(O)C=C1)C([O-])=O)C=C(NC(=O)C2=CC=CC=C2)C=C3)(C4=O)C)CCCCCCCCCCCCCCCCC)C=CC(=C5[S](=O)(=O)O)OCC.[Na+]
• InChI: 1S/C49H61N5O11S2.Na/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-45-49(3,48(59)54(52-45)37-27-31-42(65-5-2)44(33-37)67(62,63)64)53-51-40-29-26-36(50-46(56)35-23-20-19-21-24-35)32-43(40)66(60,61)38-28-30-41(55)39(34-38)47(57)58;/h19-21,23-24,26-34,55H,4-1
• InChIKey: CQTIVIYWHIHFHD-UHFFFAOYSA-M