2-[[4-Chloro-6-(1-Methylethoxy)-1,3,5-Triazin-2-Yl]Amino]-5-[2-[1-Ethyl-1,6-Dihydro-2-Hydroxy-4-Methyl-6-Oxo-5-(Sulfomethyl)-3-Pyridinyl]Diazenyl]-1,4-Benzenedisulfonicacid
[CAS# 93980-98-4]

Identification

• Name: 2-[[4-Chloro-6-(1-Methylethoxy)-1,3,5-Triazin-2-Yl]Amino]-5-[2-[1-Ethyl-1,6-Dihydro-2-Hydroxy-4-Methyl-6-Oxo-5-(Sulfomethyl)-3-Pyridinyl]Diazenyl]-1,4-Benzenedisulfonicacid
• Synonyms: 2-[(4-Chloro-6-Isopropoxy-1,3,5-Triazin-2-Yl)Amino]-5-[(N'z)-N'-[1-Ethyl-4-Methyl-2,6-Dioxo-5-(Sulfomethyl)-3-Pyridylidene]Hydrazino]Benzene-1,4-Disulfonic Acid; 2-[(4-Chloro-6-Isopropoxy-S-Triazin-2-Yl)Amino]-5-[(N'z)-N'-[1-Ethyl-2,6-Diketo-4-Methyl-5-(Sulfomethyl)-3-Pyridylidene]Hydrazino]Benzene-1,4-Disulfonic Acid; 2-((4-Chloro-6-Isopropoxy-1,3,5-Triazin-2-Yl)Amino)-5-((1-Ethyl-1,6-Dihydro-2-Hydroxy-4-Methyl-6-Oxo-5-(Sulphomethyl)-3-Pyridyl)Azo)-Benzene-1,4-Disulphonic Acid
• Molecular Formula: C₂₁H₂₄ClN₇O₁₂S₃
• Molecular Weight: 698.09
• CAS Registry Number: 93980-98-4
• EINECS: 301-079-7
• SMILES: C1=C([S](O)(=O)=O)C(=CC(=C1N\N=C2\C(=C(C[S](O)(=O)=O)C(=O)N(C2=O)CC)C)[S](O)(=O)=O)NC3=NC(=NC(=N3)Cl)OC(C)C
• InChI: 1S/C21H24ClN7O12S3/c1-5-29-17(30)11(8-42(32,33)34)10(4)16(18(29)31)28-27-13-7-14(43(35,36)37)12(6-15(13)44(38,39)40)23-20-24-19(22)25-21(26-20)41-9(2)3/h6-7,9,27H,5,8H2,1-4H3,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,23,24,25,26)/b28-16-
• InChIKey: OCJBJEODVQLXBY-NTFVMDSBSA-N

Properties

• Density: 1.824g/cm³ (Cal.)