3-[[2,4-Bis(2-Methylphenoxy)Phenyl]Azo]-4-Hydroxy-5-[[(p-Tolyl)Sulphonyl]Amino]Naphthalene-2,7-Disulphonic Acid
[CAS# 81241-67-0]

Identification

• Name: 3-[[2,4-Bis(2-Methylphenoxy)Phenyl]Azo]-4-Hydroxy-5-[[(p-Tolyl)Sulphonyl]Amino]Naphthalene-2,7-Disulphonic Acid
• Synonyms: (3E)-3-[[2,4-Bis(2-Methylphenoxy)Phenyl]Hydrazono]-5-[(4-Methylphenyl)Sulfonylamino]-4-Oxo-Naphthalene-2,7-Disulfonic Acid; (3E)-3-[[2,4-Bis(2-Methylphenoxy)Phenyl]Hydrazono]-5-[(4-Methylphenyl)Sulfonylamino]-4-Oxonaphthalene-2,7-Disulfonic Acid; (3E)-3-[[2,4-Bis(2-Methylphenoxy)Phenyl]Hydrazono]-4-Keto-5-[(4-Methylphenyl)Sulfonylamino]Naphthalene-2,7-Disulfonic Acid
• Molecular Formula: C₃₇H₃₁N₃O₁₁S₃
• Molecular Weight: 789.85
• CAS Registry Number: 81241-67-0
• EINECS: 279-712-0
• SMILES: C2=C([S](O)(=O)=O)C=C(N[S](=O)(=O)C1=CC=C(C=C1)C)C6=C2C=C([S](O)(=O)=O)C(=N/NC5=C(OC3=CC=CC=C3C)C=C(OC4=CC=CC=C4C)C=C5)/C6=O
• InChI: 1S/C37H31N3O11S3/c1-22-12-15-27(16-13-22)52(42,43)40-30-21-28(53(44,45)46)18-25-19-34(54(47,48)49)36(37(41)35(25)30)39-38-29-17-14-26(50-31-10-6-4-8-23(31)2)20-33(29)51-32-11-7-5-9-24(32)3/h4-21,38,40H,1-3H3,(H,44,45,46)(H,47,48,49)/b39-36-
• InChIKey: XLVLUOQCKFCKOJ-HYLXNHFUSA-N

Properties

• Density: 1.483g/cm³ (Cal.)