Hexasodium 4,4'-[3-Phenylenebis[Imino(6-Chloro-1,3,5-Triazine-2,4-Diyl)Imino(8-Hydroxy-3,6-Disulphonato-1,7-Naphthylene)Azo]]Dibenzoate
[CAS# 83137-16-0]

Identification

• Name: Hexasodium 4,4'-[3-Phenylenebis[Imino(6-Chloro-1,3,5-Triazine-2,4-Diyl)Imino(8-Hydroxy-3,6-Disulphonato-1,7-Naphthylene)Azo]]Dibenzoate
• Synonyms: Hexasodium P,P'-(M-Phenylenebis(Imino(6-Chloro-1,3,5-Triazine-2,4-Diyl)Imino(8-Hydroxy-3,6-Disulphonato-1,7-Naphthylene)Azo))Dibenzoate
• Molecular Formula: C₄₆H₂₄Cl₂N₁₄Na₆O₁₈S₄
• Molecular Weight: 1397.86
• CAS Registry Number: 83137-16-0
• EINECS: 280-194-3
• SMILES: N(=NC1=C2C(=CC(=C1)[S](=O)(=O)[O-])C=C(C(=C2O)NC3=NC(=NC(=N3)Cl)NC4=CC=CC(=C4)NC5=NC(=NC(=N5)NC8=C(C7=C(N=NC6=CC=C(C(=O)[O-])C=C6)C=C(C=C7C=C8[S](=O)(=O)[O-])[S](=O)(=O)[O-])O)Cl)[S](=O)(=O)[O-])C9=CC=C(C(=O)[O-])C=C9.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C46H30Cl2N14O18S4.6Na/c47-41-53-43(57-45(55-41)51-35-31(83(75,76)77)14-21-12-27(81(69,70)71)17-29(33(21)37(35)63)61-59-23-8-4-19(5-9-23)39(65)66)49-25-2-1-3-26(16-25)50-44-54-42(48)56-46(58-44)52-36-32(84(78,79)80)15-22-13-28(82(72,73)74)18-30(34(22)38(36)64)62-60-24-10-6-20(7-11-24)40(67)68;;;;;;/h1-18,63-64H,(H,65,66)(H,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,49,51,53,55,57)(H2,50,52,54,56,58);;;;;;/q;6*+1/p-6
• InChIKey: NPKJKSXNCQYACQ-UHFFFAOYSA-H