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

Systemtic Name: bis[2-(4-methyl-3-octyl-1,3-thiazol-3-ium-5-yl)ethyl] benzene-1,4-dicarboxylate Openeye Name: bis[2-(4-methyl-3-octyl-thiazol-3-ium-5-yl)ethyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid bis[2-(4-methyl-3-octyl-5-thiazol-3-iumyl)ethyl] ester IUPAC Name: bis[2-(4-methyl-3-octyl-1,3-thiazol-3-ium-5-yl)ethyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid bis[2-(4-methyl-3-octyl-thiazol-3-ium-5-yl)ethyl] ester Formula: C36H54N2O4S2+2 MolecularWeight: 642.95496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H54N2O4S2/c1-5-7-9-11-13-15-23-37-27-43-33(29(37)3)21-25-41-35(39)31-17-19-32(20-18-31)36(40)42-26-22-34-30(4)38(28-44-34)24-16-14-12-10-8-6-2/h17-20,27-28H,5-16,21-26H2,1-4H3/q+2