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

Systemtic Name: bis[2-(4-methyl-3-tetradecyl-1,3-thiazol-3-ium-5-yl)ethyl] decanedioate Openeye Name: bis[2-(4-methyl-3-tetradecyl-thiazol-3-ium-5-yl)ethyl] decanedioate CAS Name: decanedioic acid bis[2-(4-methyl-3-tetradecyl-5-thiazol-3-iumyl)ethyl] ester IUPAC Name: bis[2-(4-methyl-3-tetradecyl-1,3-thiazol-3-ium-5-yl)ethyl] decanedioate Traditional Name: sebacic acid bis[2-(4-methyl-3-myristyl-thiazol-3-ium-5-yl)ethyl] ester Formula: C50H90N2O4S2+2 MolecularWeight: 847.3906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+]1=CSC(=C1C)CCOC(=O)CCCCCCCCC(=O)OCCC2=C([N+](=CS2)CCCCCCCCCCCCCC)C

Isomeric SMILES

CCCCCCCCCCCCCC[N+]1=CSC(=C1C)CCOC(=O)CCCCCCCCC(=O)OCCC2=C([N+](=CS2)CCCCCCCCCCCCCC)C

InChI

InChI=1S/C50H90N2O4S2/c1-5-7-9-11-13-15-17-19-21-25-29-33-39-51-43-57-47(45(51)3)37-41-55-49(53)35-31-27-23-24-28-32-36-50(54)56-42-38-48-46(4)52(44-58-48)40-34-30-26-22-20-18-16-14-12-10-8-6-2/h43-44H,5-42H2,1-4H3/q+2