3-[[2,4-Diamino-5-[[4-(4-Nitro-2-Sulphoanilino)Phenyl]Azo]Phenyl]Azo]-5-Sulphosalicylic Acid
[CAS 70660-45-6]

Identification

• Name: 3-[[2,4-Diamino-5-[[4-(4-Nitro-2-Sulphoanilino)Phenyl]Azo]Phenyl]Azo]-5-Sulphosalicylic Acid
• Synonyms: (5Z)-5-[[2,4-Diamino-5-[4-[(4-Nitro-2-Sulfo-Phenyl)Amino]Phenyl]Azo-Phenyl]Hydrazono]-6-Oxo-3-Sulfo-Cyclohexa-1,3-Diene-1-Carboxylic Acid; (5Z)-5-[[2,4-Diamino-5-[4-[(4-Nitro-2-Sulfophenyl)Amino]Phenyl]Azophenyl]Hydrazono]-6-Oxo-3-Sulfo-1-Cyclohexa-1,3-Dienecarboxylic Acid; (5Z)-5-[[2,4-Diamino-5-[4-[(4-Nitro-2-Sulfo-Phenyl)Amino]Phenyl]Azo-Phenyl]Hydrazono]-6-Keto-3-Sulfo-Cyclohexa-1,3-Diene-1-Carboxylic Acid
• Molecular Formula: C₂₅H₂₀N₈O₁₁S₂
• Molecular Weight: 672.60
• CAS Registry Number: 70660-45-6
• EINECS: 274-725-8
• SMILES: C1=C([N+]([O-])=O)C=CC(=C1[S](O)(=O)=O)NC4=CC=C(N=NC2=C(N)C=C(N)C(=C2)N\N=C/3C=C([S](O)(=O)=O)C=C(C3=O)C(O)=O)C=C4
• InChI: 1S/C25H20N8O11S2/c26-17-10-18(27)21(31-32-22-9-15(45(39,40)41)8-16(24(22)34)25(35)36)11-20(17)30-29-13-3-1-12(2-4-13)28-19-6-5-14(33(37)38)7-23(19)46(42,43)44/h1-11,28,31H,26-27H2,(H,35,36)(H,39,40,41)(H,42,43,44)/b30-29?,32-22-
• InChIKey: IMECVLKVQLPQHL-QLVSORGRSA-N

Properties

• Density: 1.821g/cm³ (Cal.)