bis[2-(3-dodecyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] butanedioate diiodide

Systemtic Name: bis[2-(3-dodecyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] butanedioate diiodide Openeye Name: bis[2-(3-dodecyl-4-methyl-thiazol-3-ium-5-yl)ethyl] butanedioate diiodide CAS Name: butanedioic acid bis[2-(3-dodecyl-4-methyl-5-thiazol-3-iumyl)ethyl] ester diiodide IUPAC Name: bis[2-(3-dodecyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] butanedioate diiodide Traditional Name: succinic acid bis[2-(3-lauryl-4-methyl-thiazol-3-ium-5-yl)ethyl] ester diiodide Formula: C40H70I2N2O4S2 MolecularWeight: 960.93374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CSC(=C1C)CCOC(=O)CCC(=O)OCCC2=C([N+](=CS2)CCCCCCCCCCCC)C.[I-].[I-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CSC(=C1C)CCOC(=O)CCC(=O)OCCC2=C([N+](=CS2)CCCCCCCCCCCC)C.[I-].[I-]

InChI

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