Disodium (3Z)-5-Methyl-3-[[2-Methyl-4-[3-Methyl-4-[[3-Methyl-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Diazenyl]Phenyl]Phenyl]Hydrazinylidene]-6-Oxo-Cyclohexa-1,4-Diene-1-Carboxylate
[CAS# 6420-04-8]

Identification

• Name: Disodium (3Z)-5-Methyl-3-[[2-Methyl-4-[3-Methyl-4-[[3-Methyl-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Diazenyl]Phenyl]Phenyl]Hydrazinylidene]-6-Oxo-Cyclohexa-1,4-Diene-1-Carboxylate
• Synonyms: Disodium (3E)-5-Methyl-3-[[2-Methyl-4-[3-Methyl-4-[[3-Methyl-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]Phenyl]Phenyl]Hydrazono]-6-Oxo-Cyclohexa-1,4-Diene-1-Carboxylate; Disodium (3E)-5-Methyl-3-[[2-Methyl-4-[3-Methyl-4-[[3-Methyl-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]Phenyl]Phenyl]Hydrazono]-6-Oxo-1-Cyclohexa-1,4-Dienecarboxylate; Disodium (3E)-6-Keto-3-[[4-[4-[[5-Keto-3-Methyl-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]-3-Methyl-Phenyl]-2-Methyl-Phenyl]Hydrazono]-5-Methyl-Cyclohexa-1,4-Diene-1-Carboxylate
• Molecular Formula: C₃₂H₂₆N₆Na₂O₇S
• Molecular Weight: 684.63
• CAS Registry Number: 6420-04-8
• EINECS: 229-150-7
• SMILES: C3=C(C2=CC(=C(N\N=C1/C=C(C(=O)C(=C1)C([O-])=O)C)C=C2)C)C=CC(=C3C)N=NC4C(=NN(C4=O)C5=CC=C([S]([O-])(=O)=O)C=C5)C.[Na+].[Na+]
• InChI: 1S/C32H28N6O7S.2Na/c1-17-13-21(5-11-27(17)34-33-23-15-19(3)30(39)26(16-23)32(41)42)22-6-12-28(18(2)14-22)35-36-29-20(4)37-38(31(29)40)24-7-9-25(10-8-24)46(43,44)45;;/h5-16,29,34H,1-4H3,(H,41,42)(H,43,44,45);;/q;2*+1/p-2/b33-23+,36-35?
• InChIKey: TVZLQNYJKGRFBN-QOGCRXJWSA-L