Copper(2+) sodium 3-{(E)-[(Z)-{(2E)-[6-(dioxidomethylene)-3-sulfonato-2,4-cyclohexadien-1-ylidene]hydrazono}(phenyl)methyl]diazenyl}-5-({4-fluoro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino) -4-oxidobenzenesulfonate (1:4:1)
[CAS# 68912-12-9]

Identification

• Name: Copper(2+) sodium 3-{(E)-[(Z)-{(2E)-[6-(dioxidomethylene)-3-sulfonato-2,4-cyclohexadien-1-ylidene]hydrazono}(phenyl)methyl]diazenyl}-5-({4-fluoro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino) -4-oxidobenzenesulfonate (1:4:1)
• Synonyms: Benzoic acid, 2-(5-((3-((4-fluoro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-hydroxy-5-sulfo)phenyl)-3-phenyl-1,5-formazandiyl)-4-sulfo-, copper (II) complex, tetrasodium salt
• Molecular Formula: C₂₉H₁₆CuFN₉Na₄O₁₂S₃
• Molecular Weight: 953.19
• CAS Registry Number: 68912-12-9
• EINECS: 272-804-1
• SMILES: [Cu+2].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)C/5=C/C(=N\N=C(/N=N/c3c([O-])c(Nc1nc(F)nc(n1)Nc2cccc(c2)S([O-])(=O)=O)cc(c3)S([O-])(=O)=O)c4ccccc4)C(=C(/[O-])[O-])\C=C\5
• InChI: 1S/C29H22FN9O12S3.Cu.4Na/c30-27-33-28(31-16-7-4-8-17(11-16)52(43,44)45)35-29(34-27)32-22-13-19(54(49,50)51)14-23(24(22)40)37-39-25(15-5-2-1-3-6-15)38-36-21-12-18(53(46,47)48)9-10-20(21)26(41)42;;;;;/h1-14,40-42H,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,31,32,33,34,35);;;;;/q;+2;4*+1/p-6/b36-21+,38-25-,39-37+
• InChIKey: DDYBPFLRBVTELE-ICYFRSHWSA-H