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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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