2,2'-{1,4-Phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(8-hydroxy-3,6-disulfo-1,7-naphthalenediyl)-2,1-diazenediyl]}di(1,5-naphthalenedisulfonic acid)
[CAS# 93858-30-1]

Identification

• Name: 2,2'-{1,4-Phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(8-hydroxy-3,6-disulfo-1,7-naphthalenediyl)-2,1-diazenediyl]}di(1,5-naphthalenedisulfonic acid)
• Synonyms: 2,2'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(8-hydroxy-3,6-disulphonaphthalene-1,7-diyl)azo]]bisnaphthalene-1,5-disulphonic acid
• Molecular Formula: C₅₂H₃₄Cl₂N₁₄O₂₆S₈
• Molecular Weight: 1598.33
• CAS Registry Number: 93858-30-1
• EINECS: 299-262-9
• SMILES: O=S(=O)(O)c%10c%11cccc(c%11ccc%10N=Nc1c(O)c9c(cc1S(O)(=O)=O)cc(cc9Nc2nc(nc(Cl)n2)Nc3ccc(cc3)Nc8nc(Nc6cc(cc7cc(c(N=Nc5ccc4c(cccc4c5S(O)(=O)=O)S(O)(=O)=O)c(O)c67)S(O)(=O)=O)S(O)(=O)=O)nc(Cl)n8)S(O)(=O)=O)S(=O)(O)=O
• InChI: 1S/C52H34Cl2N14O26S8/c53-47-59-49(63-51(61-47)57-33-19-25(95(71,72)73)15-21-17-37(99(83,84)85)41(43(69)39(21)33)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)58-34-20-26(96(74,75)76)16-22-18-38(100(86,87)88)42(44(70)40(22)34)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)
• InChIKey: OSLIABUITLMFSL-UHFFFAOYSA-N

Properties

• Density: 2.079g/cm³ (Cal.)