Octasodium 2,2'-[1,4-Phenylenebis[Imino(6-Chloro-1,3,5-Triazine-4,2-Diyl)Imino(1-Hydroxy-3,6-Disulphonatonaphthalene-2,8-Diyl)Azo]]Bisnaphthalene-1,5-Disulphonate
[CAS# 71002-20-5]

Identification

• Name: Octasodium 2,2'-[1,4-Phenylenebis[Imino(6-Chloro-1,3,5-Triazine-4,2-Diyl)Imino(1-Hydroxy-3,6-Disulphonatonaphthalene-2,8-Diyl)Azo]]Bisnaphthalene-1,5-Disulphonate
• Synonyms: 2,2'-(1,4-Phenylene)Bis(Imino(6-Chloro-1,3,5-Triazin-4,2-Diyl)Imino(1-Hydroxy-3,6-Disulfo-8,2-Naphthalenediyl)Azo)Bis(1,5-Naphthalenedisulfonic Acid), Octasodium Salt; Octasodium 2,2'-(1,4-Phenylenebis(Imino(6-Chloro-1,3,5-Triazine-4,2-Diyl)Imino(1-Hydroxy-3,6-Disulphonatonaphthalene-2,8-Diyl)Azo))Bisnaphthalene-1,5-Disulphonate
• Molecular Formula: C₅₂H₂₆Cl₂N₁₄Na₈O₂₆S₈
• Molecular Weight: 1774.16
• CAS Registry Number: 71002-20-5
• EINECS: 275-108-6
• SMILES: C1(=CC=C(C=C1)NC2=NC(=NC(=N2)NC6=C(C5=C(N=NC4=CC=C3C(=CC=CC3=C4[S](=O)(=O)[O-])[S](=O)(=O)[O-])C=C(C=C5C=C6[S](=O)(=O)[O-])[S](=O)(=O)[O-])O)Cl)NC7=NC(=NC(=N7)NC%11=C(C%10=C(N=NC9=CC=C8C(=CC=CC8=C9[S](=O)(=O)[O-])[S](=O)(=O)[O-])C=C(C=C%10C=C%11[S](=O)(=O)[O-])[S](=O)(=O)[O-])O)Cl.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C52H34Cl2N14O26S8.8Na/c53-47-59-49(63-51(61-47)57-41-37(99(83,84)85)17-21-15-25(95(71,72)73)19-33(39(21)43(41)69)67-65-31-13-11-27-29(45(31)101(89,90)91)3-1-5-35(27)97(77,78)79)55-23-7-9-24(10-8-23)56-50-60-48(54)62-52(64-50)58-42-38(100(86,87)88)18-22-16-26(96(74,75)76)20-34(40(22)44(42)70)68-66-32-14-12-28-30(46(32)102(92,93)94)4-2-6-36(28)98(80,81)82;;;;;;;;/h1-20,69-70H,(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H2,55,57,59,61,63)(H2,56,58,60,62,64);;;;;;;;/q;8*+1/p-8
• InChIKey: ODAJTFUSCNWRHZ-UHFFFAOYSA-F