2,5-Dichloro-4-{[2-(dibutylamino)-4-methyl-6-{[2-(4-sulfophenyl)ethyl]amino}-5-pyrimidinyl]diazenyl}benzenesulfonic acid
[CAS# 72797-19-4]

Identification

• Name: 2,5-Dichloro-4-{[2-(dibutylamino)-4-methyl-6-{[2-(4-sulfophenyl)ethyl]amino}-5-pyrimidinyl]diazenyl}benzenesulfonic acid
• Synonyms: Benzenesulfonic acid, 2,5-dichloro-4-[[2-(dibutylamino)-4-methyl-6-[[2-(4-sulfophenyl)ethyl]amino]-5-pyrimidinyl]azo]-
• Molecular Formula: C₂₇H₃₄Cl₂N₆O₆S₂
• Molecular Weight: 673.63
• CAS Registry Number: 72797-19-4
• SMILES: CCCCN(CCCC)c1nc(c(c(n1)NCCc2ccc(cc2)S(=O)(=O)O)N=Nc3cc(c(cc3Cl)S(=O)(=O)O)Cl)C
• InChI: 1S/C27H34Cl2N6O6S2/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)
• InChIKey: YAGUHXZPUOGJBG-UHFFFAOYSA-N

Properties

• Density: 1.445g/cm³ (Cal.)