4-[[6-[[4-Chloro-6-[(4-Methoxy-2-Sulphophenyl)Amino]-1,3,5-Triazin-2-Yl]Methylamino]-1-Hydroxy-3-Sulpho-2-Naphthyl]Azo]Benzoic Acid
[CAS# 94159-07-6]

Identification

• Name: 4-[[6-[[4-Chloro-6-[(4-Methoxy-2-Sulphophenyl)Amino]-1,3,5-Triazin-2-Yl]Methylamino]-1-Hydroxy-3-Sulpho-2-Naphthyl]Azo]Benzoic Acid
• Synonyms: 4-[(N'e)-N'-[6-[[4-Chloro-6-[(4-Methoxy-2-Sulfo-Phenyl)Amino]-1,3,5-Triazin-2-Yl]Methylamino]-1-Oxo-3-Sulfo-2-Naphthylidene]Hydrazino]Benzoic Acid; 4-[(N'e)-N'-[6-[[4-Chloro-6-[(4-Methoxy-2-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Methylamino]-1-Oxo-3-Sulfo-2
• Molecular Formula: C₂₈H₂₂ClN₇O₁₀S₂
• Molecular Weight: 716.10
• CAS Registry Number: 94159-07-6
• EINECS: 303-182-2
• SMILES: C3=C(NCC1=NC(=NC(=N1)Cl)NC2=C([S](O)(=O)=O)C=C(OC)C=C2)C=CC5=C3C=C([S](O)(=O)=O)/C(=N/NC4=CC=C(C=C4)C(O)=O)C5=O
• InChI: 1S/C28H22ClN7O10S2/c1-46-18-7-9-20(21(12-18)47(40,41)42)31-28-33-23(32-27(29)34-28)13-30-17-6-8-19-15(10-17)11-22(48(43,44)45)24(25(19)37)36-35-16-4-2-14(3-5-16)26(38)39/h2-12,30,35H,13H2,1H3,(H,38,39)(H,40,41,42)(H,43,44,45)(H,31,32,33,34)/b36-24-
• InChIKey: ITTXIASUSJWJMB-IBTHDSTKSA-N

Properties

• Density: 1.728g/cm³ (Cal.)