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

Systemtic Name: bis[2-[3-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl] octanedioate Openeye Name: bis[2-[3-[(3,4-dimethoxyphenyl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl] octanedioate CAS Name: octanedioic acid bis[2-[3-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethyl] ester IUPAC Name: bis[2-[3-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl] octanedioate Traditional Name: suberic acid bis[2-(4-methyl-3-veratryl-thiazol-3-ium-5-yl)ethyl] ester Formula: C38H50N2O8S2+2 MolecularWeight: 726.9422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CC(=C(C=C2)OC)OC)CCOC(=O)CCCCCCC(=O)OCCC3=C([N+](=CS3)CC4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CC(=C(C=C2)OC)OC)CCOC(=O)CCCCCCC(=O)OCCC3=C([N+](=CS3)CC4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C38H50N2O8S2/c1-27-35(49-25-39(27)23-29-13-15-31(43-3)33(21-29)45-5)17-19-47-37(41)11-9-7-8-10-12-38(42)48-20-18-36-28(2)40(26-50-36)24-30-14-16-32(44-4)34(22-30)46-6/h13-16,21-22,25-26H,7-12,17-20,23-24H2,1-6H3/q+2