Disodium (3Z)-3-[[4-[[4-[2,6-Diamino-3-Methyl-5-(4-Sulfonatophenyl)Diazenylphenyl]Diazenylphenyl]Carbamoyl]Phenyl]Hydrazinylidene]-6-Oxocyclohexa-1,4-Diene-1-Carboxylate
[CAS 72829-12-0]

Identification

• Name: Disodium (3Z)-3-[[4-[[4-[2,6-Diamino-3-Methyl-5-(4-Sulfonatophenyl)Diazenylphenyl]Diazenylphenyl]Carbamoyl]Phenyl]Hydrazinylidene]-6-Oxocyclohexa-1,4-Diene-1-Carboxylate
• Synonyms: Disodium (3Z)-3-[[4-[[4-[2,6-Diamino-3-Methyl-5-(4-Sulfonatophenyl)Azo-Phenyl]Azophenyl]Carbamoyl]Phenyl]Hydrazono]-6-Oxo-Cyclohexa-1,4-Diene-1-Carboxylate; Disodium (3Z)-3-[[4-[[[4-[2,6-Diamino-3-Methyl-5-(4-Sulfonatophenyl)Azophenyl]Azophenyl]Amino]-Oxomethyl]Phenyl]Hydrazono]-6-Oxo-1-Cyclohexa-1,4-Dienecarboxylate; Disodium (3Z)-3-[[4-[[4-[2,6-Diamino-3-Methyl-5-(4-Sulfonatophenyl)Azo-Phenyl]Azophenyl]Carbamoyl]Phenyl]Hydrazono]-6-Keto-Cyclohexa-1,4-Diene-1-Carboxylate
• Molecular Formula: C₃₃H₂₅N₉Na₂O₇S
• Molecular Weight: 737.66
• CAS Registry Number: 72829-12-0
• EINECS: 276-904-6
• SMILES: C4=C(C(=C(N=NC3=CC=C(NC(=O)C2=CC=C(N\N=C1/C=C(C(=O)C=C1)C([O-])=O)C=C2)C=C3)C(=C4N=NC5=CC=C([S]([O-])(=O)=O)C=C5)N)N)C.[Na+].[Na+]
• InChI: 1S/C33H27N9O7S.2Na/c1-18-16-27(41-38-23-10-13-25(14-11-23)50(47,48)49)30(35)31(29(18)34)42-39-22-8-6-20(7-9-22)36-32(44)19-2-4-21(5-3-19)37-40-24-12-15-28(43)26(17-24)33(45)46;;/h2-17,37H,34-35H2,1H3,(H,36,44)(H,45,46)(H,47,48,49);;/q;2*+1/p-2/b40-24-,41-38?,42-39?
• InChIKey: XFSWHDZYNKFBHT-CDKYJCFPSA-L