2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylcyclohexan-1-one

Systemtic Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylcyclohexan-1-one Openeye Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylcyclohexanone CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1-cyclohexanone IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylcyclohexan-1-one Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]cyclohexanone Formula: C13H12F3NO3S MolecularWeight: 319.29949

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)C(C1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H12F3NO3S/c14-13(15,16)8-5-6-11(9(7-8)17(19)20)21-12-4-2-1-3-10(12)18/h5-7,12H,1-4H2