2-(3,4-didodecoxyphenyl)-3-methyl-4,5-dihydro-1,3-oxazol-3-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-(3,4-didodecoxyphenyl)-3-methyl-4,5-dihydro-1,3-oxazol-3-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-(3,4-didodecoxyphenyl)-3-methyl-4,5-dihydrooxazol-3-ium; trifluoromethanesulfonate CAS Name: 2-(3,4-didodecoxyphenyl)-3-methyl-4,5-dihydrooxazol-3-ium; trifluoromethanesulfonate IUPAC Name: 2-(3,4-didodecoxyphenyl)-3-methyl-4,5-dihydro-1,3-oxazol-3-ium; trifluoromethanesulfonate Traditional Name: 2-(3,4-dilauryloxyphenyl)-3-methyl-2-oxazolin-3-ium triflate Formula: C35H60F3NO6S MolecularWeight: 679.91421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C2=[N+](CCO2)C)OCCCCCCCCCCCC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C2=[N+](CCO2)C)OCCCCCCCCCCCC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C34H60NO3.CHF3O3S/c1-4-6-8-10-12-14-16-18-20-22-27-36-32-25-24-31(34-35(3)26-29-38-34)30-33(32)37-28-23-21-19-17-15-13-11-9-7-5-2;2-1(3,4)8(5,6)7/h24-25,30H,4-23,26-29H2,1-3H3;(H,5,6,7)/q+1;/p-1