(3E)-5-Amino-6-[(E)-{4-[(E)-(2,4-Diamino-5-Methylphenyl)Diazenyl]Phenyl}Diazenyl]-3-({4-[(E)-(2,4-Diamino-5-Methylphenyl)Diazenyl]Phenyl}Hydrazono)-4-Oxo-3,4-Dihydro-2,7-Naphthalenedisulfonic Acid
[CAS# 6745-67-1]

Identification

• Name: (3E)-5-Amino-6-[(E)-{4-[(E)-(2,4-Diamino-5-Methylphenyl)Diazenyl]Phenyl}Diazenyl]-3-({4-[(E)-(2,4-Diamino-5-Methylphenyl)Diazenyl]Phenyl}Hydrazono)-4-Oxo-3,4-Dihydro-2,7-Naphthalenedisulfonic Acid
• Synonyms: Artificial Silk Black R; C.I. Direct Black 28
• Molecular Formula: C₃₆H₃₃N₁₃O₇S₂
• Molecular Weight: 823.86
• CAS Registry Number: 6745-67-1
• SMILES: O=S(=O)(O)c6c(/N=N/c2ccc(/N=N/c1cc(c(N)cc1N)C)cc2)c(c5c(\C=C(/C(=N/Nc4ccc(/N=N/c3cc(c(N)cc3N)C)cc4)C5=O)S(=O)(=O)O)c6)N
• InChI: 1S/C36H33N13O7S2/c1-17-11-28(26(39)15-24(17)37)46-42-20-3-7-22(8-4-20)44-48-34-30(57(51,52)53)13-19-14-31(58(54,55)56)35(36(50)32(19)33(34)41)49-45-23-9-5-21(6-10-23)43-47-29-12-18(2)25(38)16-27(29)40/h3-16,45H,37-41H2,1-2H3,(H,51,52,53)(H,54,55,56)/b46-42+,47-43+,48-44+,49-35-
• InChIKey: JMWMILSNNRQNKD-YBXPQBQUSA-N

Properties

• Density: 1.678g/cm³ (Cal.)