Pentasodium 3-[[4-[[4-[[4-Chloro-6-[(3-Sulphonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2,5-Dimethylphenyl]Azo]-2,5-Disulphonatophenyl]Azo]-4-Hydroxy-5-(Phenylamino)Naphthalene-2,7-Disulphonate
[CAS 93983-23-4]

Identification

• Name: Pentasodium 3-[[4-[[4-[[4-Chloro-6-[(3-Sulphonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2,5-Dimethylphenyl]Azo]-2,5-Disulphonatophenyl]Azo]-4-Hydroxy-5-(Phenylamino)Naphthalene-2,7-Disulphonate
• Synonyms: Pentasodium (3E)-3-[[4-[4-[[4-Chloro-6-[(3-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2,5-Dimethyl-Phenyl]Azo-2,5-Disulfonato-Phenyl]Hydrazono]-4-Oxo-5-(Phenylamino)Naphthalene-2,7-Disulfonate; Pentasodium (3E)-3-[[4-[4-[[4-Chloro-6-[(3-Sulfonatophen
• Molecular Formula: C₃₉H₂₆ClN₁₀Na₅O₁₆S₅
• Molecular Weight: 1201.39
• CAS Registry Number: 93983-23-4
• EINECS: 301-312-2
• SMILES: C2=C([S]([O-])(=O)=O)C=C(NC1=CC=CC=C1)C7=C2C=C([S]([O-])(=O)=O)/C(=N/NC6=CC(=C(N=NC5=CC(=C(NC3=NC(=NC(=N3)NC4=CC(=CC=C4)[S]([O-])(=O)=O)Cl)C=C5C)C)C=C6[S]([O-])(=O)=O)[S]([O-])(=O)=O)C7=O.[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C39H31ClN10O16S5.5Na/c1-19-12-27(20(2)11-26(19)43-39-45-37(40)44-38(46-39)42-23-9-6-10-24(15-23)67(52,53)54)47-48-28-17-32(70(61,62)63)29(18-31(28)69(58,59)60)49-50-35-33(71(64,65)66)14-21-13-25(68(55,56)57)16-30(34(21)36(35)51)41-22-7-4-3-5-8-22;;;;;/
• InChIKey: AQSKGVPEGJTHOF-PKNMMMLBSA-I