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

Systemtic Name: bis[2-(3-decyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] benzene-1,4-dicarboxylate Openeye Name: bis[2-(3-decyl-4-methyl-thiazol-3-ium-5-yl)ethyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid bis[2-(3-decyl-4-methyl-5-thiazol-3-iumyl)ethyl] ester IUPAC Name: bis[2-(3-decyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid bis[2-(3-decyl-4-methyl-thiazol-3-ium-5-yl)ethyl] ester Formula: C40H62N2O4S2+2 MolecularWeight: 699.06128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H62N2O4S2/c1-5-7-9-11-13-15-17-19-27-41-31-47-37(33(41)3)25-29-45-39(43)35-21-23-36(24-22-35)40(44)46-30-26-38-34(4)42(32-48-38)28-20-18-16-14-12-10-8-6-2/h21-24,31-32H,5-20,25-30H2,1-4H3/q+2