propan-2-yl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoate

Systemtic Name: propan-2-yl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoate Openeye Name: isopropyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetic acid isopropyl ester Formula: C12H12F3NO4S MolecularWeight: 323.28819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3NO4S/c1-7(2)20-11(17)6-21-10-4-3-8(12(13,14)15)5-9(10)16(18)19/h3-5,7H,6H2,1-2H3