Trisodium 4-Amino-3-[[4-[[4-[[2-Amino-4-[[2-(Diethylamino)Ethyl]Amino]Phenyl]Azo]Phenyl]Amino]-3-Sulphonatophenyl]Azo]-5-Hydroxy-6-(Phenylazo)Naphthalene-2,7-Disulphonate
[CAS# 94159-52-1]

Identification

• Name: Trisodium 4-Amino-3-[[4-[[4-[[2-Amino-4-[[2-(Diethylamino)Ethyl]Amino]Phenyl]Azo]Phenyl]Amino]-3-Sulphonatophenyl]Azo]-5-Hydroxy-6-(Phenylazo)Naphthalene-2,7-Disulphonate
• Synonyms: Trisodium (6E)-4-Amino-3-[4-[[4-[2-Amino-4-(2-Diethylaminoethylamino)Phenyl]Azophenyl]Amino]-3-Sulfonato-Phenyl]Azo-5-Oxo-6-(Phenylhydrazono)Naphthalene-2,7-Disulfonate; Trisodium (6E)-4-Amino-3-[4-[[4-[2-Amino-4-(2-Diethylaminoethylamino)Phenyl]Azophenyl]
• Molecular Formula: C₄₀H₃₈N₁₁Na₃O₁₀S₃
• Molecular Weight: 997.96
• CAS Registry Number: 94159-52-1
• EINECS: 303-232-3
• SMILES: C1=C6C(=C(N)C(=C1[S]([O-])(=O)=O)N=NC4=CC(=C(NC3=CC=C(N=NC2=C(N)C=C(NCCN(CC)CC)C=C2)C=C3)C=C4)[S]([O-])(=O)=O)C(=O)C(=N/NC5=CC=CC=C5)\C(=C6)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C40H41N11O10S3.3Na/c1-3-51(4-2)19-18-43-28-14-16-31(30(41)22-28)48-45-27-12-10-25(11-13-27)44-32-17-15-29(23-33(32)62(53,54)55)47-49-38-34(63(56,57)58)20-24-21-35(64(59,60)61)39(40(52)36(24)37(38)42)50-46-26-8-6-5-7-9-26;;;/h5-17,20-23,43-44,46H,3-4,18
• InChIKey: MSDDGKPMQHQEQQ-FQLZQXHQSA-K