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

Systemtic Name: bis[2-(4-methyl-3-tetradecyl-1,3-thiazol-3-ium-5-yl)ethyl] benzene-1,4-dicarboxylate Openeye Name: bis[2-(4-methyl-3-tetradecyl-thiazol-3-ium-5-yl)ethyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic 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] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid bis[2-(4-methyl-3-myristyl-thiazol-3-ium-5-yl)ethyl] ester Formula: C48H78N2O4S2+2 MolecularWeight: 811.27392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+]1=CSC(=C1C)CCOC(=O)C2=CC=C(C=C2)C(=O)OCCC3=C([N+](=CS3)CCCCCCCCCCCCCC)C

Isomeric SMILES

CCCCCCCCCCCCCC[N+]1=CSC(=C1C)CCOC(=O)C2=CC=C(C=C2)C(=O)OCCC3=C([N+](=CS3)CCCCCCCCCCCCCC)C

InChI

InChI=1S/C48H78N2O4S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-35-49-39-55-45(41(49)3)33-37-53-47(51)43-29-31-44(32-30-43)48(52)54-38-34-46-42(4)50(40-56-46)36-28-26-24-22-20-18-16-14-12-10-8-6-2/h29-32,39-40H,5-28,33-38H2,1-4H3/q+2