4-methylbenzenesulfonate; [4-(octadecoxymethyl)oxolan-2-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate

Systemtic Name: 4-methylbenzenesulfonate; [4-(octadecoxymethyl)oxolan-2-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate Openeye Name: 4-methylbenzenesulfonate; [4-(octadecoxymethyl)tetrahydrofuran-2-yl]methyl 6-thiazol-3-ium-3-ylhexanoate CAS Name: 4-methylbenzenesulfonate; 6-(3-thiazol-3-iumyl)hexanoic acid [4-(octadecoxymethyl)-2-oxolanyl]methyl ester IUPAC Name: 4-methylbenzenesulfonate; [4-(octadecoxymethyl)oxolan-2-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate Traditional Name: 6-thiazol-3-ium-3-ylhexanoic acid [4-(stearyloxymethyl)tetrahydrofuran-2-yl]methyl ester tosylate Formula: C40H67NO7S2 MolecularWeight: 738.09248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)CCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)CCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C33H60NO4S.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-36-27-31-26-32(37-28-31)29-38-33(35)21-18-17-19-22-34-23-25-39-30-34;1-6-2-4-7(5-3-6)11(8,9)10/h23,25,30-32H,2-22,24,26-29H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1