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

Systemtic Name: 3-[1-(4-hexadecyloxolan-2-yl)-8-methoxy-octyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-[1-(4-hexadecyltetrahydrofuran-2-yl)-8-methoxy-octyl]thiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-[1-(4-hexadecyl-2-oxolanyl)-8-methoxyoctyl]thiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-[1-(4-hexadecyloxolan-2-yl)-8-methoxyoctyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-[1-(4-cetyltetrahydrofuran-2-yl)-8-methoxy-octyl]thiazol-3-ium tosylate Formula: C39H67NO5S2 MolecularWeight: 694.08298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1CC(OC1)C(CCCCCCCOC)[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1CC(OC1)C(CCCCCCCOC)[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C32H60NO2S.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-30-27-32(35-28-30)31(33-24-26-36-29-33)23-20-17-15-18-21-25-34-2;1-6-2-4-7(5-3-6)11(8,9)10/h24,26,29-32H,3-23,25,27-28H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1