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

Systemtic Name: bis[2-(3-hexadecyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] decanedioate Openeye Name: bis[2-(3-hexadecyl-4-methyl-thiazol-3-ium-5-yl)ethyl] decanedioate CAS Name: decanedioic acid bis[2-(3-hexadecyl-4-methyl-5-thiazol-3-iumyl)ethyl] ester IUPAC Name: bis[2-(3-hexadecyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] decanedioate Traditional Name: sebacic acid bis[2-(3-cetyl-4-methyl-thiazol-3-ium-5-yl)ethyl] ester Formula: C54H98N2O4S2+2 MolecularWeight: 903.49692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C54H98N2O4S2/c1-5-7-9-11-13-15-17-19-21-23-25-29-33-37-43-55-47-61-51(49(55)3)41-45-59-53(57)39-35-31-27-28-32-36-40-54(58)60-46-42-52-50(4)56(48-62-52)44-38-34-30-26-24-22-20-18-16-14-12-10-8-6-2/h47-48H,5-46H2,1-4H3/q+2