3-[8-methoxy-1-(4-octadecyloxolan-2-yl)octyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 3-[8-methoxy-1-(4-octadecyloxolan-2-yl)octyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-[8-methoxy-1-(4-octadecyltetrahydrofuran-2-yl)octyl]thiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-[8-methoxy-1-(4-octadecyl-2-oxolanyl)octyl]thiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-[8-methoxy-1-(4-octadecyloxolan-2-yl)octyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-[8-methoxy-1-(4-stearyltetrahydrofuran-2-yl)octyl]thiazol-3-ium tosylate Formula: C41H71NO5S2 MolecularWeight: 722.13614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1CC(OC1)C(CCCCCCCOC)[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1CC(OC1)C(CCCCCCCOC)[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C34H64NO2S.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-32-29-34(37-30-32)33(35-26-28-38-31-35)25-22-19-17-20-23-27-36-2;1-6-2-4-7(5-3-6)11(8,9)10/h26,28,31-34H,3-25,27,29-30H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1