Hexasodium 2,2'-{1,4-phenylenebis[(E)-2,1-ethenediyl(2-sulfonato-4,1-phenylene)]}bis(2H-naphtho[1,2-d][1,2,3]triazole-6,8-disulfonate)
[CAS# 71033-16-4]

Identification

• Name: Hexasodium 2,2'-{1,4-phenylenebis[(E)-2,1-ethenediyl(2-sulfonato-4,1-phenylene)]}bis(2H-naphtho[1,2-d][1,2,3]triazole-6,8-disulfonate)
• Synonyms: hexasodium 2,2'-[p-phenylenebis[vinylene(3-sulphonato-p-phenylene)]]bis[naphtho[1,2-d]triazole-6,8-disulphonate]
• Molecular Formula: C₄₂H₂₂N₆Na₆O₁₈S₆
• Molecular Weight: 1228.98
• CAS Registry Number: 71033-16-4
• EINECS: 275-146-3
• SMILES: c1c(ccc(c1)/C=C/c2cc(c(cc2)n3nc4c5c(c(cc(c5)S(=O)(=O)[O-])S(=O)(=O)[O-])ccc4n3)S(=O)(=O)[O-])/C=C/c6cc(c(cc6)n7nc8c9c(c(cc(c9)S(=O)(=O)[O-])S(=O)(=O)[O-])ccc8n7)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C42H28N6O18S6.6Na/c49-67(50,51)27-19-31-29(37(21-27)69(55,56)57)11-13-33-41(31)45-47(43-33)35-15-9-25(17-39(35)71(61,62)63)7-5-23-1-2-24(4-3-23)6-8-26-10-16-36(40(18-26)72(64,65)66)48-44-34-14-12-30-32(42(34)46-48)20-28(68(52,53)54)22-38(30)70(58,59)60;;;;;;/h1-22H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66);;;;;;/q;6*+1/p-6/b7-5+,8-6+
• InChIKey: GDGNSQQLLSSBBF-JRIMZTKASA-H