4-[[3-[[3-[[4,5-Dihydro-3-Methyl-5-Oxo-4-[(4-Sulfophenyl)Azo]-1H-Pyrazol]-1-Yl]Phenyl]Azo]-2,4-Dihydroxyphenyl]Azo]-5-Hydroxy-6-(Phenylazo)-2,7-Naphthalenedisulfonic Acid
[CAS# 68134-18-9]

Identification

• Name: 4-[[3-[[3-[[4,5-Dihydro-3-Methyl-5-Oxo-4-[(4-Sulfophenyl)Azo]-1H-Pyrazol]-1-Yl]Phenyl]Azo]-2,4-Dihydroxyphenyl]Azo]-5-Hydroxy-6-(Phenylazo)-2,7-Naphthalenedisulfonic Acid
• Synonyms: (3Z)-5-[(N'e)-N'-[(5E)-5-[[3-[3-Methyl-5-Oxo-4-(4-Sulfophenyl)Azo-4H-Pyrazol-1-Yl]Phenyl]Hydrazono]-4,6-Dioxo-1-Cyclohex-2-Enylidene]Hydrazino]-4-Oxo-3-(Phenylhydrazono)Naphthalene-2,7-Disulfonic Acid; (3Z)-5-[(N'e)-N'-[(5E)-4,6-Diketo-5-[[3-[5-Keto-3-Methyl-4-(4-Sulfophenyl)Azo-4H-Pyrazol-1-Yl]Phenyl]Hydrazono]-1-Cyclohex-2-Enylidene]Hydrazino]-4-Keto-3-(Phenylhydrazono)Naphthalene-2,7-Disulfonic Acid; 2,7-Naphthalenedisulfonic Acid, 4-((3-((3-(4,5-Dihydro-3-Methyl-5-Oxo-4-((4-Sulfophenyl)Azo)-1H-Pyrazol-1-Yl)Phenyl)Azo)-2,4-Dihydroxyphenyl)Azo)-5-Hydroxy-6-(Phenylazo)-
• Molecular Formula: C₃₈H₂₈N₁₀O₁₃S₃
• Molecular Weight: 928.88
• CAS Registry Number: 68134-18-9
• SMILES: C5=C([S](O)(=O)=O)C=C(N\N=C4\C(=O)/C(=N/NC1=CC(=CC=C1)N3N=C(C(N=NC2=CC=C([S](O)(=O)=O)C=C2)C3=O)C)C(=O)C=C4)C7=C5C=C([S](O)(=O)=O)\C(=N/NC6=CC=CC=C6)C7=O
• InChI: 1S/C38H28N10O13S3/c1-20-33(44-40-23-10-12-26(13-11-23)62(53,54)55)38(52)48(47-20)25-9-5-8-24(18-25)41-45-34-30(49)15-14-28(36(34)50)42-43-29-19-27(63(56,57)58)16-21-17-31(64(59,60)61)35(37(51)32(21)29)46-39-22-6-3-2-4-7-22/h2-19,33,39,41,43H,1H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)/b42-28+,44-40?,45-34+,46-35+
• InChIKey: HXOISEUKQVSIJB-RZIQHENUSA-N

Properties

• Density: 1.733g/cm³ (Cal.)