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

Systemtic Name: 4-methylbenzenesulfonate; 3-[8-[(4-tetradecyloxolan-2-yl)methoxy]octyl]-1,3-thiazol-3-ium Openeye Name: 4-methylbenzenesulfonate; 3-[8-[(4-tetradecyltetrahydrofuran-2-yl)methoxy]octyl]thiazol-3-ium CAS Name: 4-methylbenzenesulfonate; 3-[8-[(4-tetradecyl-2-oxolanyl)methoxy]octyl]thiazol-3-ium IUPAC Name: 4-methylbenzenesulfonate; 3-[8-[(4-tetradecyloxolan-2-yl)methoxy]octyl]-1,3-thiazol-3-ium Traditional Name: 3-[8-[(4-myristyltetrahydrofuran-2-yl)methoxy]octyl]thiazol-3-ium tosylate Formula: C37H63NO5S2 MolecularWeight: 666.02982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H56NO2S.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-29-25-30(33-26-29)27-32-23-19-16-13-12-15-18-21-31-22-24-34-28-31;1-6-2-4-7(5-3-6)11(8,9)10/h22,24,28-30H,2-21,23,25-27H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1