4-methylbenzenesulfonate; 3-[7-[[5-(octadecoxymethyl)oxolan-3-yl]methoxy]heptyl]-1,3-thiazol-3-ium

Systemtic Name: 4-methylbenzenesulfonate; 3-[7-[[5-(octadecoxymethyl)oxolan-3-yl]methoxy]heptyl]-1,3-thiazol-3-ium Openeye Name: 4-methylbenzenesulfonate; 3-[7-[[5-(octadecoxymethyl)tetrahydrofuran-3-yl]methoxy]heptyl]thiazol-3-ium CAS Name: 4-methylbenzenesulfonate; 3-[7-[[5-(octadecoxymethyl)-3-oxolanyl]methoxy]heptyl]thiazol-3-ium IUPAC Name: 4-methylbenzenesulfonate; 3-[7-[[5-(octadecoxymethyl)oxolan-3-yl]methoxy]heptyl]-1,3-thiazol-3-ium Traditional Name: 3-[7-[[5-(stearyloxymethyl)tetrahydrofuran-3-yl]methoxy]heptyl]thiazol-3-ium tosylate Formula: C41H71NO6S2 MolecularWeight: 738.13554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC1CC(CO1)COCCCCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC1CC(CO1)COCCCCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C34H64NO3S.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-26-37-31-34-28-33(30-38-34)29-36-25-21-19-16-17-20-23-35-24-27-39-32-35;1-6-2-4-7(5-3-6)11(8,9)10/h24,27,32-34H,2-23,25-26,28-31H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1