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

Systemtic Name: 4-methylbenzenesulfonate; methyl [4-(4-tetradecyloxolan-2-yl)-4-(1,3-thiazol-3-ium-3-yl)butyl] carbonate Openeye Name: 4-methylbenzenesulfonate; methyl [4-(4-tetradecyltetrahydrofuran-2-yl)-4-thiazol-3-ium-3-yl-butyl] carbonate CAS Name: carbonic acid methyl [4-(4-tetradecyl-2-oxolanyl)-4-(3-thiazol-3-iumyl)butyl] ester; 4-methylbenzenesulfonate IUPAC Name: 4-methylbenzenesulfonate; methyl [4-(4-tetradecyloxolan-2-yl)-4-(1,3-thiazol-3-ium-3-yl)butyl] carbonate Traditional Name: carbonic acid methyl [4-(4-myristyltetrahydrofuran-2-yl)-4-thiazol-3-ium-3-yl-butyl] ester tosylate Formula: C34H55NO7S2 MolecularWeight: 653.933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48NO4S.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-24-21-26(32-22-24)25(28-18-20-33-23-28)17-15-19-31-27(29)30-2;1-6-2-4-7(5-3-6)11(8,9)10/h18,20,23-26H,3-17,19,21-22H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1