Acid Red 145
[CAS# 6598-62-5]

Identification

• Name: Acid Red 145
• Synonyms: Trisodium (3Z)-3-[[2-Methyl-4-[5-Methyl-4-[4-(4-Methylphenyl)Sulfonyloxyphenyl]Azo-2-Sulfonato-Phenyl]-5-Sulfonato-Phenyl]Hydrazono]-4-Oxo-Naphthalene-1-Sulfonate; Trisodium (3Z)-3-[[2-Methyl-4-[5-Methyl-4-[4-(4-Methylphenyl)Sulfonyloxyphenyl]Azo-2-Sulfonatophenyl]-5-Sulfonatophenyl]Hydrazono]-4-Oxo-1-Naphthalenesulfonate; Trisodium (3Z)-4-Keto-3-[[2-Methyl-4-[5-Methyl-4-[4-(4-Methylphenyl)Sulfonyloxyphenyl]Azo-2-Sulfonato-Phenyl]-5-Sulfonato-Phenyl]Hydrazono]Naphthalene-1-Sulfonate
• Molecular Formula: C₃₇H₂₇N₄Na₃O₁₃S₄
• Molecular Weight: 932.85
• CAS Registry Number: 6598-62-5
• EINECS: 229-538-6
• SMILES: C1=C(C(=CC(=C1C4=C([S]([O-])(=O)=O)C=C(N=NC3=CC=C(O[S](=O)(=O)C2=CC=C(C=C2)C)C=C3)C(=C4)C)[S]([O-])(=O)=O)N\N=C6/C(=O)C5=CC=CC=C5C(=C6)[S]([O-])(=O)=O)C.[Na+].[Na+].[Na+]
• InChI: 1S/C37H30N4O13S4.3Na/c1-21-8-14-26(15-9-21)58(52,53)54-25-12-10-24(11-13-25)38-39-31-18-35(56(46,47)48)29(16-22(31)2)30-17-23(3)32(19-36(30)57(49,50)51)40-41-33-20-34(55(43,44)45)27-6-4-5-7-28(27)37(33)42;;;/h4-20,40H,1-3H3,(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3/b39-38?,41-33-
• InChIKey: YKOVSHFXXNLZQW-WEPZXWFSSA-K