(3E)-5-Amino-3-[[2-Methoxy-5-Methyl-4-(8-Phenylsulfonyloxy-3,6-Disulfonaphthalen-1-Yl)Diazenylphenyl]Hydrazinylidene]-4-Oxonaphthalene-2,7-Disulfonic Acid
[CAS# 117-45-3]

Identification

• Name: (3E)-5-Amino-3-[[2-Methoxy-5-Methyl-4-(8-Phenylsulfonyloxy-3,6-Disulfonaphthalen-1-Yl)Diazenylphenyl]Hydrazinylidene]-4-Oxonaphthalene-2,7-Disulfonic Acid
• Synonyms: (3E)-5-Amino-3-[[2-Methoxy-5-Methyl-4-[(8-Phenylsulfonyloxy-3,6-Disulfo-1-Naphthyl)Azo]Phenyl]Hydrazono]-4-Oxo-Naphthalene-2,7-Disulfonic Acid; (3E)-5-Amino-3-[[2-Methoxy-5-Methyl-4-[(8-Phenylsulfonyloxy-3,6-Disulfo-1-Naphthyl)Azo]Phenyl]Hydrazono]-4-Oxonaphthalene-2,7-Disulfonic Acid; (3E)-5-Amino-4-Keto-3-[[2-Methoxy-5-Methyl-4-[(8-Phenylsulfonyloxy-3,6-Disulfo-1-Naphthyl)Azo]Phenyl]Hydrazono]Naphthalene-2,7-Disulfonic Acid
• Molecular Formula: C₃₄H₂₇N₅O₁₇S₅
• Molecular Weight: 937.91
• CAS Registry Number: 117-45-3
• EINECS: 204-191-3
• SMILES: C5=C([S](O)(=O)=O)C=C(O[S](=O)(=O)C1=CC=CC=C1)C6=C(N=NC4=CC(=C(N\N=C3\C(=CC2=C(C(=CC(=C2)[S](O)(=O)=O)N)C3=O)[S](O)(=O)=O)C=C4C)OC)C=C([S](O)(=O)=O)C=C56
• InChI: 1S/C34H27N5O17S5/c1-17-8-26(37-39-33-30(60(50,51)52)12-19-11-21(57(41,42)43)13-24(35)31(19)34(33)40)28(55-2)16-25(17)36-38-27-14-22(58(44,45)46)9-18-10-23(59(47,48)49)15-29(32(18)27)56-61(53,54)20-6-4-3-5-7-20/h3-16,37H,35H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)/b38-36?,39-33-
• InChIKey: HXLUGFVIHRDIOZ-YYMPSUNCSA-N

Properties

• Density: 1.8g/cm³ (Cal.)