2-(nitromethyl)-4-(trifluoromethyl)-1,3-dithiole

Systemtic Name: 2-(nitromethyl)-4-(trifluoromethyl)-1,3-dithiole Openeye Name: 2-(nitromethyl)-4-(trifluoromethyl)-1,3-dithiole CAS Name: 2-(nitromethyl)-4-(trifluoromethyl)-1,3-dithiole IUPAC Name: 2-(nitromethyl)-4-(trifluoromethyl)-1,3-dithiole Traditional Name: 2-(nitromethyl)-4-(trifluoromethyl)-1,3-dithiole Formula: C5H4F3NO2S2 MolecularWeight: 231.21597

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(S1)C[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=C(SC(S1)C[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C5H4F3NO2S2/c6-5(7,8)3-2-12-4(13-3)1-9(10)11/h2,4H,1H2