Tetrasodium 2-[[1-[4-[(E)-2-[4-[[(E)-4-[[4-[(2Z)-2-(3-Carboxylato-4-Oxo-1-Cyclohexa-2,5-Dienylidene)Hydrazinyl]Phenyl]Amino]-4-Oxobut-2-Enoyl]Amino]-2-Sulfonatophenyl]Ethenyl]-3-Sulfonatophenyl]-3-Methyl-5-Oxo-4H-Pyrazol-4-Yl]Diazenyl]-5-(Methylsulfamoyl)Benzoate
[CAS# 72139-20-9]

Identification

• Name: Tetrasodium 2-[[1-[4-[(E)-2-[4-[[(E)-4-[[4-[(2Z)-2-(3-Carboxylato-4-Oxo-1-Cyclohexa-2,5-Dienylidene)Hydrazinyl]Phenyl]Amino]-4-Oxobut-2-Enoyl]Amino]-2-Sulfonatophenyl]Ethenyl]-3-Sulfonatophenyl]-3-Methyl-5-Oxo-4H-Pyrazol-4-Yl]Diazenyl]-5-(Methylsulfamoyl)Benzoate
• Synonyms: Tetrasodium 2-[[1-[4-[(E)-2-[4-[[(E)-4-[[4-[(N'z)-N'-(3-Carboxylato-4-Oxo-1-Cyclohexa-2,5-Dienylidene)Hydrazino]Phenyl]Amino]-4-Oxo-But-2-Enoyl]Amino]-2-Sulfonato-Phenyl]Vinyl]-3-Sulfonato-Phenyl]-3-Methyl-5-Oxo-4H-Pyrazol-4-Yl]Azo]-5-(Methylsulfamoyl)Benzoate; Tetrasodium 2-[[1-[4-[(E)-2-[4-[[(E)-4-[[4-[(N'z)-N'-(3-Carboxylato-4-Oxo-1-Cyclohexa-2,5-Dienylidene)Hydrazino]Phenyl]Amino]-1,4-Dioxobut-2-Enyl]Amino]-2-Sulfonatophenyl]Vinyl]-3-Sulfonatophenyl]-3-Methyl-5-Oxo-4H-Pyrazol-4-Yl]Azo]-5-(Methylsulfamoyl)Benzoate; Tetrasodium 2-[[1-[4-[(E)-2-[4-[[(E)-4-[[4-[(N'z)-N'-(3-Carboxylato-4-Keto-1-Cyclohexa-2,5-Dienylidene)Hydrazino]Phenyl]Amino]-4-Keto-But-2-Enoyl]Amino]-2-Sulfonato-Phenyl]Vinyl]-3-Sulfonato-Phenyl]-5-Keto-3-Methyl-4H-Pyrazol-4-Yl]Azo]-5-(Methylsulfamoyl)Benzoate
• Molecular Formula: C₄₃H₃₁N₉Na₄O₁₆S₃
• Molecular Weight: 1117.91
• CAS Registry Number: 72139-20-9
• EINECS: 276-376-7
• SMILES: C3=C(N2N=C(C(N=NC1=C(C=C([S](=O)(=O)NC)C=C1)C([O-])=O)C2=O)C)C=CC(=C3[S]([O-])(=O)=O)\C=C\C6=C([S]([O-])(=O)=O)C=C(NC(=O)\C=C\C(=O)NC5=CC=C(N\N=C4/C=C(C(=O)C=C4)C([O-])=O)C=C5)C=C6.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C43H35N9O16S3.4Na/c1-23-40(50-49-34-15-14-31(69(61,62)44-2)22-32(34)42(57)58)41(56)52(51-23)30-13-6-25(37(21-30)71(66,67)68)4-3-24-5-7-28(20-36(24)70(63,64)65)46-39(55)18-17-38(54)45-26-8-10-27(11-9-26)47-48-29-12-16-35(53)33(19-29)43(59)60;;;;/h3-22,40,44,47H,1-2H3,(H,45,54)(H,46,55)(H,57,58)(H,59,60)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4/b4-3+,18-17+,48-29-,50-49?
• InChIKey: UGHVPLWJRCKJCT-GKIMMOJJSA-J