4-methylbenzenesulfonate; 3-[6-[[(2S,4R)-4-tetradecyloxolan-2-yl]methoxy]hexyl]-1,3-thiazol-3-ium

Systemtic Name: 4-methylbenzenesulfonate; 3-[6-[[(2S,4R)-4-tetradecyloxolan-2-yl]methoxy]hexyl]-1,3-thiazol-3-ium Openeye Name: 4-methylbenzenesulfonate; 3-[6-[[(2S,4R)-4-tetradecyltetrahydrofuran-2-yl]methoxy]hexyl]thiazol-3-ium CAS Name: 4-methylbenzenesulfonate; 3-[6-[[(2S,4R)-4-tetradecyl-2-oxolanyl]methoxy]hexyl]thiazol-3-ium IUPAC Name: 4-methylbenzenesulfonate; 3-[6-[[(2S,4R)-4-tetradecyloxolan-2-yl]methoxy]hexyl]-1,3-thiazol-3-ium Traditional Name: 3-[6-[[(2S,4R)-4-myristyltetrahydrofuran-2-yl]methoxy]hexyl]thiazol-3-ium tosylate Formula: C35H59NO5S2 MolecularWeight: 637.97666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1CC(OC1)COCCCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC[C@@H]1C[C@H](OC1)COCCCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C28H52NO2S.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-27-23-28(31-24-27)25-30-21-17-14-13-16-19-29-20-22-32-26-29;1-6-2-4-7(5-3-6)11(8,9)10/h20,22,26-28H,2-19,21,23-25H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/t27-,28+;/m1./s1