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

Systemtic Name: bis[2-(3-dodecyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] benzene-1,4-dicarboxylate Openeye Name: bis[2-(3-dodecyl-4-methyl-thiazol-3-ium-5-yl)ethyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic 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] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid bis[2-(3-lauryl-4-methyl-thiazol-3-ium-5-yl)ethyl] ester Formula: C44H70N2O4S2+2 MolecularWeight: 755.1676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H70N2O4S2/c1-5-7-9-11-13-15-17-19-21-23-31-45-35-51-41(37(45)3)29-33-49-43(47)39-25-27-40(28-26-39)44(48)50-34-30-42-38(4)46(36-52-42)32-24-22-20-18-16-14-12-10-8-6-2/h25-28,35-36H,5-24,29-34H2,1-4H3/q+2