2,5-Dichloro-4-[4-[2-[5-[[(Dodecyloxy)Carbonyl]Amino]-2-Sulfophenyl]Diazenyl]-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]-Benzenesulfonic Acid Sodium Salt (1:2)
[CAS# 71873-51-3]

Identification

• Name: 2,5-Dichloro-4-[4-[2-[5-[[(Dodecyloxy)Carbonyl]Amino]-2-Sulfophenyl]Diazenyl]-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]-Benzenesulfonic Acid Sodium Salt (1:2)
• Synonyms: Disodium 2,5-Dichloro-4-[4-[5-(Dodecoxycarbonylamino)-2-Sulfonato-Phenyl]Azo-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonate; Disodium 2,5-Dichloro-4-[4-[5-[(Dodecoxy-Oxomethyl)Amino]-2-Sulfonatophenyl]Azo-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonate; Disodium 2,5-Dichloro-4-[5-Keto-4-[5-(Lauryloxycarbonylamino)-2-Sulfonato-Phenyl]Azo-3-Methyl-4H-Pyrazol-1-Yl]Benzenesulfonate
• Molecular Formula: C₂₉H₃₅Cl₂N₅Na₂O₉S₂
• Molecular Weight: 778.63
• CAS Registry Number: 71873-51-3
• EINECS: 276-127-2
• SMILES: C3=C(N2N=C(C(N=NC1=C([S]([O-])(=O)=O)C=CC(=C1)NC(OCCCCCCCCCCCC)=O)C2=O)C)C(=CC(=C3Cl)[S]([O-])(=O)=O)Cl.[Na+].[Na+]
• InChI: 1S/C29H37Cl2N5O9S2.2Na/c1-3-4-5-6-7-8-9-10-11-12-15-45-29(38)32-20-13-14-25(46(39,40)41)23(16-20)33-34-27-19(2)35-36(28(27)37)24-17-22(31)26(18-21(24)30)47(42,43)44;;/h13-14,16-18,27H,3-12,15H2,1-2H3,(H,32,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2
• InChIKey: HKAOXGYNZYWYAQ-UHFFFAOYSA-L