4-(Acetylamino)-6-[[3-[[[2-[4-(Hexadecyloxy)Phenyl]-1H-Indol-3-Yl]Amino]Sulphonyl]-4-Methoxyphenyl]Azo]-5-Hydroxynaphthalene-1,7-Disulphonic Acid
[CAS# 66282-04-0]

Identification

• Name: 4-(Acetylamino)-6-[[3-[[[2-[4-(Hexadecyloxy)Phenyl]-1H-Indol-3-Yl]Amino]Sulphonyl]-4-Methoxyphenyl]Azo]-5-Hydroxynaphthalene-1,7-Disulphonic Acid
• Synonyms: (6E)-4-Acetamido-6-[[3-[[2-(4-Hexadecoxyphenyl)-1H-Indol-3-Yl]Sulfamoyl]-4-Methoxy-Phenyl]Hydrazono]-5-Oxo-Naphthalene-1,7-Disulfonic Acid; (6E)-4-Acetamido-6-[[3-[[2-(4-Hexadecoxyphenyl)-1H-Indol-3-Yl]Sulfamoyl]-4-Methoxyphenyl]Hydrazono]-5-Oxonaphthalene-1,7-Disulfonic Acid; (6E)-4-Acetamido-6-[[3-[[2-(4-Cetyloxyphenyl)-1H-Indol-3-Yl]Sulfamoyl]-4-Methoxy-Phenyl]Hydrazono]-5-Keto-Naphthalene-1,7-Disulfonic Acid
• Molecular Formula: C₄₉H₅₉N₅O₁₂S₃
• Molecular Weight: 1006.21
• CAS Registry Number: 66282-04-0
• EINECS: 266-298-1
• SMILES: C1=C(OCCCCCCCCCCCCCCCC)C=CC(=C1)C6=C(N[S](=O)(=O)C2=C(OC)C=CC(=C2)N\N=C4\C(=CC3=C([S](O)(=O)=O)C=CC(=C3C4=O)NC(=O)C)[S](O)(=O)=O)C5=CC=CC=C5[NH]6
• InChI: 1S/C49H59N5O12S3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30-66-36-25-22-34(23-26-36)46-47(37-20-17-18-21-39(37)51-46)54-67(57,58)43-31-35(24-28-41(43)65-3)52-53-48-44(69(62,63)64)32-38-42(68(59,60)61)29-27-40(50-33(2)55)45(38)49(48)56/h17-18,20-29,31-32,51-52,54H,4-16,19,30H2,1-3H3,(H,50,55)(H,59,60,61)(H,62,63,64)/b53-48-
• InChIKey: CBCXSFYMYNJQCH-FLZGHWKCSA-N

Properties

• Density: 1.377g/cm³ (Cal.)