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

Systemtic Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylpropan-2-one Openeye Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylpropan-2-one CAS Name: 1-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-2-propanone IUPAC Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylpropan-2-one Traditional Name: 1-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetone Formula: C10H8F3NO3S MolecularWeight: 279.23563

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CSC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C10H8F3NO3S/c1-6(15)5-18-9-3-2-7(10(11,12)13)4-8(9)14(16)17/h2-4H,5H2,1H3