3-[2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-dimethyl-azaniumyl]ethyldisulfanyl]-4-oxidanylidene-pentanoate

Systemtic Name: 3-[2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-dimethyl-azaniumyl]ethyldisulfanyl]-4-oxidanylidene-pentanoate Openeye Name: 3-[2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-dimethyl-ammonio]ethyldisulfanyl]-4-oxo-pentanoate CAS Name: 3-[2-[2,3-bis[(E)-1-oxooctadec-9-enoxy]propyl-dimethylammonio]ethyldisulfanyl]-4-oxopentanoate IUPAC Name: 3-[2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-dimethylazaniumyl]ethyldisulfanyl]-4-oxopentanoate Traditional Name: 3-[2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-dimethyl-ammonio]ethyldisulfanyl]-4-keto-valerate Formula: C48H87NO7S2 MolecularWeight: 854.33688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(C[N+](C)(C)CCSSC(CC(=O)[O-])C(=O)C)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(C[N+](C)(C)CCSSC(CC(=O)[O-])C(=O)C)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C48H87NO7S2/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-47(53)55-42-44(41-49(4,5)38-39-57-58-45(43(3)50)40-46(51)52)56-48(54)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,44-45H,6-19,24-42H2,1-5H3/b22-20+,23-21+