Reactive Red 45
[CAS# 12226-22-1]

Identification

• Name: Reactive Red 45
• Synonyms: Trisodium (3Z)-5-[[4-Chloro-6-(Methyl-Phenyl-Amino)-1,3,5-Triazin-2-Yl]Amino]-3-[(4-Methyl-2-Sulfonato-Phenyl)Hydrazono]-4-Oxo-Naphthalene-2,7-Disulfonate; Trisodium (3Z)-5-[[4-Chloro-6-(Methyl-Phenylamino)-1,3,5-Triazin-2-Yl]Amino]-3-[(4-Methyl-2-Sulfonatophenyl)Hydrazono]-4-Oxonaphthalene-2,7-Disulfonate; Trisodium (3Z)-5-[[4-Chloro-6-(Methyl-Phenyl-Amino)-S-Triazin-2-Yl]Amino]-4-Keto-3-[(4-Methyl-2-Sulfonato-Phenyl)Hydrazono]Naphthalene-2,7-Disulfonate
• Molecular Formula: C₂₇H₁₉ClN₇Na₃O₁₀S₃
• Molecular Weight: 802.09
• CAS Registry Number: 12226-22-1
• SMILES: C3=C([S]([O-])(=O)=O)C=C(NC1=NC(=NC(=N1)Cl)N(C2=CC=CC=C2)C)C5=C3C=C([S]([O-])(=O)=O)\C(=N/NC4=C([S]([O-])(=O)=O)C=C(C=C4)C)C5=O.[Na+].[Na+].[Na+]
• InChI: 1S/C27H22ClN7O10S3.3Na/c1-14-8-9-18(20(10-14)47(40,41)42)33-34-23-21(48(43,44)45)12-15-11-17(46(37,38)39)13-19(22(15)24(23)36)29-26-30-25(28)31-27(32-26)35(2)16-6-4-3-5-7-16;;;/h3-13,33H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32);;;/q;3*+1/p-3/b34-23+
• InChIKey: VDRVAKOAJJOPAD-BGSWCMMMSA-K