3-[7-[[4-(dodecoxymethyl)oxolan-2-yl]methoxy]heptyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 3-[7-[[4-(dodecoxymethyl)oxolan-2-yl]methoxy]heptyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-[7-[[4-(dodecoxymethyl)tetrahydrofuran-2-yl]methoxy]heptyl]thiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-[7-[[4-(dodecoxymethyl)-2-oxolanyl]methoxy]heptyl]thiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-[7-[[4-(dodecoxymethyl)oxolan-2-yl]methoxy]heptyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-[7-[[4-(lauryloxymethyl)tetrahydrofuran-2-yl]methoxy]heptyl]thiazol-3-ium tosylate Formula: C35H59NO6S2 MolecularWeight: 653.97606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCC1CC(OC1)COCCCCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOCC1CC(OC1)COCCCCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C28H52NO3S.C7H8O3S/c1-2-3-4-5-6-7-8-9-12-15-19-30-23-27-22-28(32-24-27)25-31-20-16-13-10-11-14-17-29-18-21-33-26-29;1-6-2-4-7(5-3-6)11(8,9)10/h18,21,26-28H,2-17,19-20,22-25H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1