1-(nitromethylsulfanyl)-3-(trifluoromethyl)benzene

Systemtic Name: 1-(nitromethylsulfanyl)-3-(trifluoromethyl)benzene Openeye Name: 1-(nitromethylsulfanyl)-3-(trifluoromethyl)benzene CAS Name: 1-(nitromethylthio)-3-(trifluoromethyl)benzene IUPAC Name: 1-(nitromethylsulfanyl)-3-(trifluoromethyl)benzene Traditional Name: 1-(nitromethylthio)-3-(trifluoromethyl)benzene Formula: C8H6F3NO2S MolecularWeight: 237.19895

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6F3NO2S/c9-8(10,11)6-2-1-3-7(4-6)15-5-12(13)14/h1-4H,5H2