Sodium 3-{[1-hydroxy-4-({4-[2-(4-hydroxyphenyl)-2-propanyl]-2-(methoxycarbonyl)phenyl}diazenyl)-2-naphthoyl]amino}-4-[methyl(octadecyl)amino]benzenesulfonate
[CAS# 93882-03-2]

Identification

• Name: Sodium 3-{[1-hydroxy-4-({4-[2-(4-hydroxyphenyl)-2-propanyl]-2-(methoxycarbonyl)phenyl}diazenyl)-2-naphthoyl]amino}-4-[methyl(octadecyl)amino]benzenesulfonate
• Synonyms: sodium 1-methyl 2-[[4-hydroxy-3-[[[2-(methyloctadecylamino)-5-sulphonatophenyl]amino]carbonyl]-1-naphthyl]azo]-5-[1-(4-hydroxyphenyl)-1-methylethyl]benzoate
• Molecular Formula: C₅₃H₆₇N₄NaO₈S
• Molecular Weight: 943.18
• CAS Registry Number: 93882-03-2
• EINECS: 299-406-0
• SMILES: [Na+].CC(C)(c1ccc(O)cc1)c5cc(C(=O)OC)c(N=Nc4cc(C(=O)Nc2cc(ccc2N(C)CCCCCCCCCCCCCCCCCC)S([O-])(=O)=O)c(O)c3ccccc34)cc5
• InChI: 1S/C53H68N4O8S.Na/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-34-57(4)49-33-31-41(66(62,63)64)36-48(49)54-51(60)45-37-47(42-24-21-22-25-43(42)50(45)59)56-55-46-32-28-39(35-44(46)52(61)65-5)53(2,3)38-26-29-40(58)30-27-38;/h21-22,24-33,35-37,58-59H,6-20,23,34H2,1-5H3,(H,54,60)(H,62,63,64);/q;+1/p-1
• InChIKey: DWPIKIHHVGGUFL-UHFFFAOYSA-M