2,5-Dichloro-4-[[2-(Dibutylamino)-4-Methyl-6-[[2-(4-Sulphophenyl)Ethyl]Amino]-5-Pyrimidinyl]Azo]Benzenesulphonic Acid, Sodium Salt
[CAS# 84962-50-5]

Identification

• Name: 2,5-Dichloro-4-[[2-(Dibutylamino)-4-Methyl-6-[[2-(4-Sulphophenyl)Ethyl]Amino]-5-Pyrimidinyl]Azo]Benzenesulphonic Acid, Sodium Salt
• Synonyms: Disodium 2,5-Dichloro-4-[2-(Dibutylamino)-4-Methyl-6-[2-(4-Sulfonatophenyl)Ethylamino]Pyrimidin-5-Yl]Azo-Benzenesulfonate; Disodium 2,5-Dichloro-4-[[2-(Dibutylamino)-4-Methyl-6-[2-(4-Sulfonatophenyl)Ethylamino]-5-Pyrimidinyl]Azo]Benzenesulfonate; Disodium 2,5-Dichloro-4-[2-(Dibutylamino)-4-Methyl-6-[2-(4-Sulfonatophenyl)Ethylamino]Pyrimidin-5-Yl]Diazenyl-Benzenesulfonate
• Molecular Formula: C₂₇H₃₂Cl₂N₆Na₂O₆S₂
• Molecular Weight: 717.59
• CAS Registry Number: 84962-50-5
• EINECS: 284-748-5
• SMILES: C1=C([S]([O-])(=O)=O)C(=CC(=C1Cl)N=NC2=C(N=C(N=C2C)N(CCCC)CCCC)NCCC3=CC=C([S]([O-])(=O)=O)C=C3)Cl.[Na+].[Na+]
• InChI: 1S/C27H34Cl2N6O6S2.2Na/c1-4-6-14-35(15-7-5-2)27-31-18(3)25(34-33-23-16-22(29)24(17-21(23)28)43(39,40)41)26(32-27)30-13-12-19-8-10-20(11-9-19)42(36,37)38;;/h8-11,16-17H,4-7,12-15H2,1-3H3,(H,30,31,32)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2
• InChIKey: DQBGDKRZGLHPGE-UHFFFAOYSA-L