2-[4,5-Dihydro-3-Methyl-4-[[4-[[4-[[2-Methyl-4-[(2,5,6-Trichloropyrimidin-4-Yl)Amino]Phenyl]Azo]Benzoyl]Amino]-2-Sulphophenyl]Azo]-5-Oxo-1H-Pyrazol-1-Yl]Benzene-1,4-Disulphonic Acid
[CAS# 71750-84-0]

Identification

• Name: 2-[4,5-Dihydro-3-Methyl-4-[[4-[[4-[[2-Methyl-4-[(2,5,6-Trichloropyrimidin-4-Yl)Amino]Phenyl]Azo]Benzoyl]Amino]-2-Sulphophenyl]Azo]-5-Oxo-1H-Pyrazol-1-Yl]Benzene-1,4-Disulphonic Acid
• Synonyms: 2-[3-Methyl-4-[4-[[4-[2-Methyl-4-[(2,5,6-Trichloropyrimidin-4-Yl)Amino]Phenyl]Azobenzoyl]Amino]-2-Sulfo-Phenyl]Azo-5-Oxo-4H-Pyrazol-1-Yl]Benzene-1,4-Disulfonic Acid; 2-[3-Methyl-4-[4-[[[4-[2-Methyl-4-[(2,5,6-Trichloro-4-Pyrimidinyl)Amino]Phenyl]Azophenyl]-Oxomethyl]Amino]-2-Sulfophenyl]Azo-5-Oxo-4H-Pyrazol-1-Yl]Benzene-1,4-Disulfonic Acid; 2-[5-Keto-3-Methyl-4-[4-[[4-[2-Methyl-4-[(2,5,6-Trichloropyrimidin-4-Yl)Amino]Phenyl]Azobenzoyl]Amino]-2-Sulfo-Phenyl]Azo-4H-Pyrazol-1-Yl]Benzene-1,4-Disulfonic Acid
• Molecular Formula: C₃₄H₂₅Cl₃N₁₀O₁₁S₃
• Molecular Weight: 952.17
• CAS Registry Number: 71750-84-0
• EINECS: 275-986-0
• SMILES: C6=C(N5N=C(C(N=NC4=CC=C(NC(=O)C3=CC=C(N=NC2=CC=C(NC1=NC(=NC(=C1Cl)Cl)Cl)C=C2C)C=C3)C=C4[S](=O)(=O)O)C5=O)C)C(=CC=C6[S](=O)(=O)O)[S](=O)(=O)O
• InChI: 1S/C34H25Cl3N10O11S3/c1-16-13-20(38-31-28(35)30(36)40-34(37)41-31)7-10-23(16)43-42-19-5-3-18(4-6-19)32(48)39-21-8-11-24(27(14-21)61(56,57)58)44-45-29-17(2)46-47(33(29)49)25-15-22(59(50,51)52)9-12-26(25)60(53,54)55/h3-15,29H,1-2H3,(H,39,48)(H,38,40,41)(H,50,51,52)(H,53,54,55)(H,56,57,58)
• InChIKey: XDPRLVPAYAGRLO-UHFFFAOYSA-N

Properties

• Density: 1.786g/cm³ (Cal.)