bis[2-(3-hexadecyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] octanedioate

Systemtic Name: bis[2-(3-hexadecyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] octanedioate Openeye Name: bis[2-(3-hexadecyl-4-methyl-thiazol-3-ium-5-yl)ethyl] octanedioate CAS Name: octanedioic acid bis[2-(3-hexadecyl-4-methyl-5-thiazol-3-iumyl)ethyl] ester IUPAC Name: bis[2-(3-hexadecyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] octanedioate Traditional Name: suberic acid bis[2-(3-cetyl-4-methyl-thiazol-3-ium-5-yl)ethyl] ester Formula: C52H94N2O4S2+2 MolecularWeight: 875.44376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CSC(=C1C)CCOC(=O)CCCCCCC(=O)OCCC2=C([N+](=CS2)CCCCCCCCCCCCCCCC)C

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CSC(=C1C)CCOC(=O)CCCCCCC(=O)OCCC2=C([N+](=CS2)CCCCCCCCCCCCCCCC)C

InChI

InChI=1S/C52H94N2O4S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-31-35-41-53-45-59-49(47(53)3)39-43-57-51(55)37-33-29-30-34-38-52(56)58-44-40-50-48(4)54(46-60-50)42-36-32-28-26-24-22-20-18-16-14-12-10-8-6-2/h45-46H,5-44H2,1-4H3/q+2