2-[4-[[4-[[1-Ethyl-1,6-Dihydro-2-Hydroxy-4-Methyl-6-Oxo-5-(Sulphomethyl)-3-Pyridyl]Azo]Benzoyl]Amino]Phenyl]-6-Methylbenzothiazole-7-Sulphonic Acid
[CAS# 65402-16-6]

Identification

• Name: 2-[4-[[4-[[1-Ethyl-1,6-Dihydro-2-Hydroxy-4-Methyl-6-Oxo-5-(Sulphomethyl)-3-Pyridyl]Azo]Benzoyl]Amino]Phenyl]-6-Methylbenzothiazole-7-Sulphonic Acid
• Synonyms: 2-[4-[[4-[(N'z)-N'-[1-Ethyl-4-Methyl-2,6-Dioxo-5-(Sulfomethyl)-3-Pyridylidene]Hydrazino]Benzoyl]Amino]Phenyl]-6-Methyl-1,3-Benzothiazole-7-Sulfonic Acid; 2-[4-[[[4-[(N'z)-N'-[1-Ethyl-4-Methyl-2,6-Dioxo-5-(Sulfomethyl)-3-Pyridylidene]Hydrazino]Phenyl]-Oxomethyl]Amino]Phenyl]-6-Methyl-1,3-Benzothiazole-7-Sulfonic Acid; 2-[4-[[4-[(N'z)-N'-[1-Ethyl-2,6-Diketo-4-Methyl-5-(Sulfomethyl)-3-Pyridylidene]Hydrazino]Benzoyl]Amino]Phenyl]-6-Methyl-1,3-Benzothiazole-7-Sulfonic Acid
• Molecular Formula: C₃₀H₂₇N₅O₉S₃
• Molecular Weight: 697.75
• CAS Registry Number: 65402-16-6
• EINECS: 265-734-8
• SMILES: C1=CC(=C([S](O)(=O)=O)C2=C1N=C(S2)C5=CC=C(NC(=O)C4=CC=C(N\N=C3\C(=C(C[S](O)(=O)=O)C(=O)N(C3=O)CC)C)C=C4)C=C5)C
• InChI: 1S/C30H27N5O9S3/c1-4-35-29(37)22(15-46(39,40)41)17(3)24(30(35)38)34-33-21-12-6-18(7-13-21)27(36)31-20-10-8-19(9-11-20)28-32-23-14-5-16(2)26(25(23)45-28)47(42,43)44/h5-14,33H,4,15H2,1-3H3,(H,31,36)(H,39,40,41)(H,42,43,44)/b34-24-
• InChIKey: MLADMSFBTSHMFH-BCJTWVECSA-N

Properties

• Density: 1.585g/cm³ (Cal.)