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

Systemtic Name: 2-[2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-dimethyl-azaniumyl]ethyldisulfanyl]butanedioate Openeye Name: 2-[2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-dimethyl-ammonio]ethyldisulfanyl]butanedioate CAS Name: 2-[2-[2,3-bis[(E)-1-oxooctadec-9-enoxy]propyl-dimethylammonio]ethyldisulfanyl]butanedioate IUPAC Name: 2-[2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-dimethylazaniumyl]ethyldisulfanyl]butanedioate Traditional Name: 2-[2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-dimethyl-ammonio]ethyldisulfanyl]succinate Formula: C47H84NO8S2- MolecularWeight: 855.30176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H85NO8S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-45(51)55-41-42(40-48(3,4)37-38-57-58-43(47(53)54)39-44(49)50)56-46(52)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,42-43H,5-18,23-41H2,1-4H3,(H-,49,50,53,54)/p-1/b21-19+,22-20+