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

Systemtic Name: bis[2-(4-methyl-3-tetradecyl-1,3-thiazol-3-ium-5-yl)ethyl] butanedioate Openeye Name: bis[2-(4-methyl-3-tetradecyl-thiazol-3-ium-5-yl)ethyl] butanedioate CAS Name: butanedioic acid bis[2-(4-methyl-3-tetradecyl-5-thiazol-3-iumyl)ethyl] ester IUPAC Name: bis[2-(4-methyl-3-tetradecyl-1,3-thiazol-3-ium-5-yl)ethyl] butanedioate Traditional Name: succinic acid bis[2-(4-methyl-3-myristyl-thiazol-3-ium-5-yl)ethyl] ester Formula: C44H78N2O4S2+2 MolecularWeight: 763.23112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+]1=CSC(=C1C)CCOC(=O)CCC(=O)OCCC2=C([N+](=CS2)CCCCCCCCCCCCCC)C

Isomeric SMILES

CCCCCCCCCCCCCC[N+]1=CSC(=C1C)CCOC(=O)CCC(=O)OCCC2=C([N+](=CS2)CCCCCCCCCCCCCC)C

InChI

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