4-methylbenzenesulfonate; 3-[6-[[4-(tetradecoxymethyl)oxolan-2-yl]methoxy]hexyl]-1,3-thiazol-3-ium

Systemtic Name: 4-methylbenzenesulfonate; 3-[6-[[4-(tetradecoxymethyl)oxolan-2-yl]methoxy]hexyl]-1,3-thiazol-3-ium Openeye Name: 4-methylbenzenesulfonate; 3-[6-[[4-(tetradecoxymethyl)tetrahydrofuran-2-yl]methoxy]hexyl]thiazol-3-ium CAS Name: 4-methylbenzenesulfonate; 3-[6-[[4-(tetradecoxymethyl)-2-oxolanyl]methoxy]hexyl]thiazol-3-ium IUPAC Name: 4-methylbenzenesulfonate; 3-[6-[[4-(tetradecoxymethyl)oxolan-2-yl]methoxy]hexyl]-1,3-thiazol-3-ium Traditional Name: 3-[6-[[4-(myristyloxymethyl)tetrahydrofuran-2-yl]methoxy]hexyl]thiazol-3-ium tosylate Formula: C36H61NO6S2 MolecularWeight: 668.00264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOCC1CC(OC1)COCCCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCOCC1CC(OC1)COCCCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C29H54NO3S.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-13-16-20-31-24-28-23-29(33-25-28)26-32-21-17-14-12-15-18-30-19-22-34-27-30;1-6-2-4-7(5-3-6)11(8,9)10/h19,22,27-29H,2-18,20-21,23-26H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1