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

Systemtic Name: 3-[2-[2,3-bis[(E)-octadec-9-enoxy]propyl-dimethyl-azaniumyl]ethyldisulfanyl]-4-oxidanylidene-pentanoate Openeye Name: 3-[2-[2,3-bis[(E)-octadec-9-enoxy]propyl-dimethyl-ammonio]ethyldisulfanyl]-4-oxo-pentanoate CAS Name: 3-[2-[2,3-bis[(E)-octadec-9-enoxy]propyl-dimethylammonio]ethyldisulfanyl]-4-oxopentanoate IUPAC Name: 3-[2-[2,3-bis[(E)-octadec-9-enoxy]propyl-dimethylazaniumyl]ethyldisulfanyl]-4-oxopentanoate Traditional Name: 3-[2-[2,3-bis[(E)-octadec-9-enoxy]propyl-dimethyl-ammonio]ethyldisulfanyl]-4-keto-valerate Formula: C48H91NO5S2 MolecularWeight: 826.36984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(C[N+](C)(C)CCSSC(CC(=O)[O-])C(=O)C)OCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(C[N+](C)(C)CCSSC(CC(=O)[O-])C(=O)C)OCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C48H91NO5S2/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-53-44-46(43-49(4,5)38-41-55-56-47(45(3)50)42-48(51)52)54-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,46-47H,6-19,24-44H2,1-5H3/b22-20+,23-21+