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

Systemtic Name: bis[2-(3-dodecyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] octanedioate Openeye Name: bis[2-(3-dodecyl-4-methyl-thiazol-3-ium-5-yl)ethyl] octanedioate CAS Name: octanedioic acid bis[2-(3-dodecyl-4-methyl-5-thiazol-3-iumyl)ethyl] ester IUPAC Name: bis[2-(3-dodecyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] octanedioate Traditional Name: suberic acid bis[2-(3-lauryl-4-methyl-thiazol-3-ium-5-yl)ethyl] ester Formula: C44H78N2O4S2+2 MolecularWeight: 763.23112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H78N2O4S2/c1-5-7-9-11-13-15-17-19-23-27-33-45-37-51-41(39(45)3)31-35-49-43(47)29-25-21-22-26-30-44(48)50-36-32-42-40(4)46(38-52-42)34-28-24-20-18-16-14-12-10-8-6-2/h37-38H,5-36H2,1-4H3/q+2