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

Systemtic Name: bis[2-(4-methyl-3-octyl-1,3-thiazol-3-ium-5-yl)ethyl] octanedioate Openeye Name: bis[2-(4-methyl-3-octyl-thiazol-3-ium-5-yl)ethyl] octanedioate CAS Name: octanedioic 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] octanedioate Traditional Name: suberic acid bis[2-(4-methyl-3-octyl-thiazol-3-ium-5-yl)ethyl] ester Formula: C36H62N2O4S2+2 MolecularWeight: 651.01848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=CSC(=C1C)CCOC(=O)CCCCCCC(=O)OCCC2=C([N+](=CS2)CCCCCCCC)C

Isomeric SMILES

CCCCCCCC[N+]1=CSC(=C1C)CCOC(=O)CCCCCCC(=O)OCCC2=C([N+](=CS2)CCCCCCCC)C

InChI

InChI=1S/C36H62N2O4S2/c1-5-7-9-11-15-19-25-37-29-43-33(31(37)3)23-27-41-35(39)21-17-13-14-18-22-36(40)42-28-24-34-32(4)38(30-44-34)26-20-16-12-10-8-6-2/h29-30H,5-28H2,1-4H3/q+2