Disodium 4-[1-[[(E)-Octadec-9-Enoyl]Amino]Propan-2-Yloxy]-4-Oxo-3-Sulfonato-Butanoate
[CAS# 65277-57-8]

Identification

• Name: Disodium 4-[1-[[(E)-Octadec-9-Enoyl]Amino]Propan-2-Yloxy]-4-Oxo-3-Sulfonato-Butanoate
• Synonyms: Disodium 4-[1-Methyl-2-[[(E)-Octadec-9-Enoyl]Amino]Ethoxy]-4-Oxo-3-Sulfonato-Butanoate; Disodium 4-[1-Methyl-2-[[(E)-1-Oxooctadec-9-Enyl]Amino]Ethoxy]-4-Oxo-3-Sulfonatobutanoate; Disodium 4-Keto-4-[1-Methyl-2-[[(E)-Octadec-9-Enoyl]Amino]Ethoxy]-3-Sulfonato-Butyrate
• Molecular Formula: C₂₅H₄₃NNa₂O₈S
• Molecular Weight: 563.66
• CAS Registry Number: 65277-57-8
• SMILES: C(C([S]([O-])(=O)=O)C(OC(CNC(=O)CCCCCCC\C=C\CCCCCCCC)C)=O)C([O-])=O.[Na+].[Na+]
• InChI: 1S/C25H45NO8S.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)26-20-21(2)34-25(30)22(19-24(28)29)35(31,32)33;;/h10-11,21-22H,3-9,12-20H2,1-2H3,(H,26,27)(H,28,29)(H,31,32,33);;/q;2*+1/p-2/b11-10+
• InChIKey: KUZLAYSZNFYDFT-BGNBUWATSA-L