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

Systemtic Name: 2-[2-[2,3-bis[(E)-octadec-9-enoxy]propyl-dimethyl-azaniumyl]ethyldisulfanyl]butanedioate Openeye Name: 2-[2-[2,3-bis[(E)-octadec-9-enoxy]propyl-dimethyl-ammonio]ethyldisulfanyl]butanedioate CAS Name: 2-[2-[2,3-bis[(E)-octadec-9-enoxy]propyl-dimethylammonio]ethyldisulfanyl]butanedioate IUPAC Name: 2-[2-[2,3-bis[(E)-octadec-9-enoxy]propyl-dimethylazaniumyl]ethyldisulfanyl]butanedioate Traditional Name: 2-[2-[2,3-bis[(E)-octadec-9-enoxy]propyl-dimethyl-ammonio]ethyldisulfanyl]succinate Formula: C47H88NO6S2- MolecularWeight: 827.33472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H89NO6S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-53-43-44(42-48(3,4)37-40-55-56-45(47(51)52)41-46(49)50)54-39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,44-45H,5-18,23-43H2,1-4H3,(H-,49,50,51,52)/p-1/b21-19+,22-20+