[7-[[4-[[5-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]-2-Methoxy-3-Sulfophenyl] Azo]-2-Hydroxyphenyl]Azo]-8-Hydroxy-1,3,6-Naphthalenetrisulfonato]-Cuprate Tetrasodium
[CAS# 68239-54-3]

Identification

• Name: [7-[[4-[[5-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]-2-Methoxy-3-Sulfophenyl] Azo]-2-Hydroxyphenyl]Azo]-8-Hydroxy-1,3,6-Naphthalenetrisulfonato]-Cuprate Tetrasodium
• Synonyms: Copper Tetrasodium 7-[4-[4-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]-2-Methoxy-3-Sulfonato-Phenyl]Azo-2-Oxido-Phenyl]Azo-8-Oxido-Naphthalene-1,3,6-Trisulfonate; Copper Tetrasodium 7-[4-[4-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]-2-Methoxy-3-Sulfonatophenyl]Azo-2-Oxidophenyl]Azo-8-Oxidonaphthalene-1,3,6-Trisulfonate; Cupric Tetrasodium 7-[4-[4-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]-2-Methoxy-3-Sulfonato-Phenyl]Azo-2-Oxido-Phenyl]Azo-8-Oxido-Naphthalene-1,3,6-Trisulfonate
• Molecular Formula: C₂₇H₁₂ClCuF₂N₇Na₄O₁₅S₄
• Molecular Weight: 1031.62
• CAS Registry Number: 68239-54-3
• SMILES: C1=C([S]([O-])(=O)=O)C(=C([O-])C2=C([S]([O-])(=O)=O)C=C([S]([O-])(=O)=O)C=C12)N=NC5=CC=C(N=NC4=CC=C(NC3=NC(=NC(=C3Cl)F)F)C(=C4OC)[S]([O-])(=O)=O)C=C5[O-].[Na+].[Na+].[Na+].[Cu++].[Na+]
• InChI: 1S/C27H18ClF2N7O15S4.Cu.4Na/c1-52-23-14(4-5-15(24(23)56(49,50)51)31-26-20(28)25(29)32-27(30)33-26)36-34-11-2-3-13(16(38)8-11)35-37-21-18(55(46,47)48)7-10-6-12(53(40,41)42)9-17(54(43,44)45)19(10)22(21)39;;;;;/h2-9,38-39H,1H3,(H,31,32,33)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51);;;;;/q;+2;4*+1/p-6
• InChIKey: BLOXDJUACNJCBN-UHFFFAOYSA-H