5-[2-[4-[[[4-[2-[2,4-Dihydroxy-5-[2-[2-Hydroxy-5-[2-(3-Sulfophenyl)Diazenyl]Phenyl]Diazenyl]Phenyl]Diazenyl]Phenyl]Amino]Carbonyl]Phenyl]Diazenyl]-2-Hydroxy-Benzoic Acid
[CAS# 94021-33-7]

Identification

• Name: 5-[2-[4-[[[4-[2-[2,4-Dihydroxy-5-[2-[2-Hydroxy-5-[2-(3-Sulfophenyl)Diazenyl]Phenyl]Diazenyl]Phenyl]Diazenyl]Phenyl]Amino]Carbonyl]Phenyl]Diazenyl]-2-Hydroxy-Benzoic Acid
• Synonyms: (3E)-3-[[4-[[4-[[(3Z)-4-Hydroxy-6-Oxo-3-[(E)-[6-Oxo-3-[N'-(3-Sulfophenyl)Hydrazino]-1-Cyclohexa-2,4-Dienylidene]Hydrazono]-1-Cyclohexa-1,4-Dienyl]Azo]Phenyl]Carbamoyl]Phenyl]Hydrazono]-6-Oxo-Cyclohexa-1,4-Diene-1-Carboxylic Acid; (3E)-3-[[4-[[[4-[[(3Z)-4-Hydroxy-6-Oxo-3-[(E)-[6-Oxo-3-[N'-(3-Sulfophenyl)Hydrazino]-1-Cyclohexa-2,4-Dienylidene]Hydrazono]-1-Cyclohexa-1,4-Dienyl]Azo]Phenyl]Amino]-Oxomethyl]Phenyl]Hydrazono]-6-Oxo-1-Cyclohexa-1,4-Dienecarboxylic Acid; (3E)-3-[[4-[[4-[[(3Z)-4-Hydroxy-6-Keto-3-[(E)-[6-Keto-3-[N'-(3-Sulfophenyl)Hydrazino]-1-Cyclohexa-2,4-Dienylidene]Hydrazono]-1-Cyclohexa-1,4-Dienyl]Azo]Phenyl]Carbamoyl]Phenyl]Hydrazono]-6-Keto-Cyclohexa-1,4-Diene-1-Carboxylic Acid
• Molecular Formula: C₃₈H₂₇N₉O₁₀S
• Molecular Weight: 801.75
• CAS Registry Number: 94021-33-7
• EINECS: 301-427-8
• SMILES: C6=C(NNC5=CC(=N/N=C\4C=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(=O)C=C4O)\C(=O)C=C5)C=CC=C6[S](O)(=O)=O
• InChI: 1S/C38H27N9O10S/c48-33-14-12-26(17-29(33)38(53)54)43-40-23-6-4-21(5-7-23)37(52)39-22-8-10-24(11-9-22)41-45-31-19-32(36(51)20-35(31)50)47-46-30-18-27(13-15-34(30)49)44-42-25-2-1-3-28(16-25)58(55,56)57/h1-20,40,42,44,51H,(H,39,52)(H,53,54)(H,55,56,57)/b43-26+,45-41?,46-30+,47-32-
• InChIKey: DIMJKSMNIVYLTC-FGBDXPEVSA-N

Properties

• Density: 1.566g/cm³ (Cal.)