4-methylbenzenesulfonate; 3-[7-[(4-tetradecyloxolan-2-yl)methoxy]heptyl]-1,3-thiazol-3-ium

Systemtic Name: 4-methylbenzenesulfonate; 3-[7-[(4-tetradecyloxolan-2-yl)methoxy]heptyl]-1,3-thiazol-3-ium Openeye Name: 4-methylbenzenesulfonate; 3-[7-[(4-tetradecyltetrahydrofuran-2-yl)methoxy]heptyl]thiazol-3-ium CAS Name: 4-methylbenzenesulfonate; 3-[7-[(4-tetradecyl-2-oxolanyl)methoxy]heptyl]thiazol-3-ium IUPAC Name: 4-methylbenzenesulfonate; 3-[7-[(4-tetradecyloxolan-2-yl)methoxy]heptyl]-1,3-thiazol-3-ium Traditional Name: 3-[7-[(4-myristyltetrahydrofuran-2-yl)methoxy]heptyl]thiazol-3-ium tosylate Formula: C36H61NO5S2 MolecularWeight: 652.00324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H54NO2S.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-28-24-29(32-25-28)26-31-22-18-15-12-14-17-20-30-21-23-33-27-30;1-6-2-4-7(5-3-6)11(8,9)10/h21,23,27-29H,2-20,22,24-26H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1