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

Systemtic Name: bis[2-(3-decyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] octanedioate Openeye Name: bis[2-(3-decyl-4-methyl-thiazol-3-ium-5-yl)ethyl] octanedioate CAS Name: octanedioic 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] octanedioate Traditional Name: suberic acid bis[2-(3-decyl-4-methyl-thiazol-3-ium-5-yl)ethyl] ester Formula: C40H70N2O4S2+2 MolecularWeight: 707.1248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H70N2O4S2/c1-5-7-9-11-13-15-19-23-29-41-33-47-37(35(41)3)27-31-45-39(43)25-21-17-18-22-26-40(44)46-32-28-38-36(4)42(34-48-38)30-24-20-16-14-12-10-8-6-2/h33-34H,5-32H2,1-4H3/q+2