Disodium 4-(2,2-Bis(Hydroxymethyl)-3-((1-Oxooctadeca-9,12,15-Trienyl)Oxy)Propyl) 2-Sulphonatosuccinate
[CAS# 94113-59-4]

Identification

• Name: Disodium 4-(2,2-Bis(Hydroxymethyl)-3-((1-Oxooctadeca-9,12,15-Trienyl)Oxy)Propyl) 2-Sulphonatosuccinate
• Synonyms: Disodium 4-[2,2-Bis(Hydroxymethyl)-3-[(9E,12E,15E)-Octadeca-9,12,15-Trienoyl]Oxy-Propoxy]-4-Oxo-2-Sulfonato-Butanoate; Disodium 4-[2,2-Bis(Hydroxymethyl)-3-[(9E,12E,15E)-1-Oxooctadeca-9,12,15-Trienoxy]Propoxy]-4-Oxo-2-Sulfonatobutanoate; Disodium 4-[2,2-Dimethylol-3-[(9E,12E,15E)-Octadeca-9,12,15-Trienoyl]Oxy-Propoxy]-4-Keto-2-Sulfonato-Butyrate
• Molecular Formula: C₂₇H₄₂Na₂O₁₁S
• Molecular Weight: 620.66
• CAS Registry Number: 94113-59-4
• EINECS: 302-593-4
• SMILES: C(C([S]([O-])(=O)=O)C([O-])=O)C(OCC(COC(=O)CCCCCCC\C=C\C\C=C\C\C=C\CC)(CO)CO)=O.[Na+].[Na+]
• InChI: 1S/C27H44O11S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)37-21-27(19-28,20-29)22-38-25(31)18-23(26(32)33)39(34,35)36;;/h3-4,6-7,9-10,23,28-29H,2,5,8,11-22H2,1H3,(H,32,33)(H,34,35,36);;/q;2*+1/p-2/b4-3+,7-6+,10-9+
• InChIKey: NNAPJFGRZUSHRW-KYHAOURTSA-L