5-[[4-[[7-[4,5-Dihydro-3-Methyl-5-Oxo-4-(Phenylazo)-1H-Pyrazol-1-Yl]-3-Hydroxy-1-Sulpho-2-Naphthyl]Azo]-3-Methoxy-7-Sulpho-1-Naphthyl]Azo]Salicylic Acid
[CAS# 68400-30-6]

Identification

• Name: 5-[[4-[[7-[4,5-Dihydro-3-Methyl-5-Oxo-4-(Phenylazo)-1H-Pyrazol-1-Yl]-3-Hydroxy-1-Sulpho-2-Naphthyl]Azo]-3-Methoxy-7-Sulpho-1-Naphthyl]Azo]Salicylic Acid
• Synonyms: (3E)-3-[[3-Methoxy-4-[(N'e)-N'-[7-(3-Methyl-5-Oxo-4-Phenylazo-4H-Pyrazol-1-Yl)-3-Oxo-1-Sulfo-2-Naphthylidene]Hydrazino]-7-Sulfo-1-Naphthyl]Hydrazono]-6-Oxo-Cyclohexa-1,4-Diene-1-Carboxylic Acid; (3E)-3-[[3-Methoxy-4-[(N'e)-N'-[7-(3-Methyl-5-Oxo-4-Phenylazo-4H-Pyrazol-1-Yl)-3-Oxo-1-Sulfo-2-Naphthylidene]Hydrazino]-7-Sulfo-1-Naphthyl]Hydrazono]-6-Oxo-1-Cyclohexa-1,4-Dienecarboxylic Acid; (3E)-6-Keto-3-[[4-[(N'e)-N'-[3-Keto-7-(5-Keto-3-Methyl-4-Phenylazo-4H-Pyrazol-1-Yl)-1-Sulfo-2-Naphthylidene]Hydrazino]-3-Methoxy-7-Sulfo-1-Naphthyl]Hydrazono]Cyclohexa-1,4-Diene-1-Carboxylic Acid
• Molecular Formula: C₃₈H₂₈N₈O₁₂S₂
• Molecular Weight: 852.81
• CAS Registry Number: 68400-30-6
• EINECS: 270-019-9
• SMILES: C1=C([S](O)(=O)=O)C=CC2=C1C(=CC(=C2N\N=C3\C(=C4C(=CC3=O)C=CC(=C4)N6N=C(C(N=NC5=CC=CC=C5)C6=O)C)[S](O)(=O)=O)OC)N\N=C7\C=C(C(=O)C=C7)C(O)=O
• InChI: 1S/C38H28N8O12S2/c1-19-33(42-39-21-6-4-3-5-7-21)37(49)46(45-19)23-10-8-20-14-31(48)35(36(26(20)16-23)60(55,56)57)44-43-34-25-12-11-24(59(52,53)54)17-27(25)29(18-32(34)58-2)41-40-22-9-13-30(47)28(15-22)38(50)51/h3-18,33,41,43H,1-2H3,(H,50,51)(H,52,53,54)(H,55,56,57)/b40-22+,42-39?,44-35+
• InChIKey: MLWCMLWDGPOLMQ-ZGRSIYJBSA-N

Properties

• Density: 1.665g/cm³ (Cal.)