4-methylbenzenesulfonate; methyl [5-(4-tetradecyloxolan-2-yl)-5-(1,3-thiazol-3-ium-3-yl)pentyl] carbonate

Systemtic Name: 4-methylbenzenesulfonate; methyl [5-(4-tetradecyloxolan-2-yl)-5-(1,3-thiazol-3-ium-3-yl)pentyl] carbonate Openeye Name: 4-methylbenzenesulfonate; methyl [5-(4-tetradecyltetrahydrofuran-2-yl)-5-thiazol-3-ium-3-yl-pentyl] carbonate CAS Name: carbonic acid methyl [5-(4-tetradecyl-2-oxolanyl)-5-(3-thiazol-3-iumyl)pentyl] ester; 4-methylbenzenesulfonate IUPAC Name: 4-methylbenzenesulfonate; methyl [5-(4-tetradecyloxolan-2-yl)-5-(1,3-thiazol-3-ium-3-yl)pentyl] carbonate Traditional Name: carbonic acid methyl [5-(4-myristyltetrahydrofuran-2-yl)-5-thiazol-3-ium-3-yl-pentyl] ester tosylate Formula: C35H57NO7S2 MolecularWeight: 667.95958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H50NO4S.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-25-22-27(33-23-25)26(29-19-21-34-24-29)18-15-16-20-32-28(30)31-2;1-6-2-4-7(5-3-6)11(8,9)10/h19,21,24-27H,3-18,20,22-23H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1