2-(3-ethyl-2-hexadecoxy-1-oxidanidyl-5-propylperoxy-imidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole

Systemtic Name: 2-(3-ethyl-2-hexadecoxy-1-oxidanidyl-5-propylperoxy-imidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole Openeye Name: 2-(3-ethyl-2-hexadecoxy-1-oxido-5-propylperoxy-imidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole CAS Name: 2-(3-ethyl-2-hexadecoxy-1-oxido-5-propyldioxy-1-imidazolidin-1-iumyl)-5-(trifluoromethyl)-1,3,4-thiadiazole IUPAC Name: 2-(3-ethyl-2-hexadecoxy-1-oxido-5-propylperoxyimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole Traditional Name: 2-(2-cetyloxy-3-ethyl-1-oxido-5-propylperoxy-imidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole Formula: C27H49F3N4O4S MolecularWeight: 582.76257

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1N(CC([N+]1(C2=NN=C(S2)C(F)(F)F)[O-])OOCCC)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1N(CC([N+]1(C2=NN=C(S2)C(F)(F)F)[O-])OOCCC)CC

InChI

InChI=1S/C27H49F3N4O4S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-21-36-26-33(6-3)22-23(38-37-20-5-2)34(26,35)25-32-31-24(39-25)27(28,29)30/h23,26H,4-22H2,1-3H3