3-octadecan-3-yl-4,5-dihydro-1,3-oxazol-3-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 3-octadecan-3-yl-4,5-dihydro-1,3-oxazol-3-ium; tris(fluoranyl)methanesulfonate Openeye Name: 3-(1-ethylhexadecyl)-4,5-dihydrooxazol-3-ium; trifluoromethanesulfonate CAS Name: 3-octadecan-3-yl-4,5-dihydrooxazol-3-ium; trifluoromethanesulfonate IUPAC Name: 3-octadecan-3-yl-4,5-dihydro-1,3-oxazol-3-ium; trifluoromethanesulfonate Traditional Name: 3-(1-ethylhexadecyl)-2-oxazolin-3-ium triflate Formula: C22H42F3NO4S MolecularWeight: 473.63339

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC)[N+]1=COCC1.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC)[N+]1=COCC1.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C21H42NO.CHF3O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21(4-2)22-18-19-23-20-22;2-1(3,4)8(5,6)7/h20-21H,3-19H2,1-2H3;(H,5,6,7)/q+1;/p-1