Pentasodium 2-{4-[2-(4-{[2-methyl-4-(7-sulfonato-2H-naphtho[1,2-d][1,2,3]triazol-2-yl)phenyl]diazenyl}-2-sulfonatophenyl)vinyl]-3-sulfonatophenyl}-2H-naphtho[1,2-d][1,2,3]triazole-5,8-disulfonate
[CAS# 68631-09-4]

Identification

• Name: Pentasodium 2-{4-[2-(4-{[2-methyl-4-(7-sulfonato-2H-naphtho[1,2-d][1,2,3]triazol-2-yl)phenyl]diazenyl}-2-sulfonatophenyl)vinyl]-3-sulfonatophenyl}-2H-naphtho[1,2-d][1,2,3]triazole-5,8-disulfonate
• Synonyms: 2H-Naphtho[1,2-d]triazole-5,8-disulfonic acid, 2-[4-[2-[4-[[2-methyl-4-(7-sulfo-2H-naphtho[1,2-d]triazol-2-yl)phenyl]azo]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-, pentasodium salt
• Molecular Formula: C₄₁H₂₃N₈Na₅O₁₅S₅
• Molecular Weight: 1142.94
• CAS Registry Number: 68631-09-4
• SMILES: Cc1cc(ccc1N=Nc2ccc(c(c2)S(=O)(=O)[O-])C=Cc3ccc(cc3S(=O)(=O)[O-])n4nc5cc(c6ccc(cc6c5n4)S(=O)(=O)[O-])S(=O)(=O)[O-])n7nc8ccc9cc(ccc9c8n7)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C41H28N8O15S5.5Na/c1-22-16-27(48-44-35-14-6-25-17-29(65(50,51)52)10-12-31(25)40(35)46-48)9-15-34(22)43-42-26-7-4-23(37(18-26)67(56,57)58)2-3-24-5-8-28(19-38(24)68(59,60)61)49-45-36-21-39(69(62,63)64)32-13-11-30(66(53,54)55)20-33(32)41(36)47-49;;;;;/h2-21H,1H3,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;;/q;5*+1/p-5
• InChIKey: HVEVBOAQZWYGSO-UHFFFAOYSA-I