methyl (2R,3S)-2-(4-nitrophenyl)-3-(trifluoromethyl)-1,4-oxathiane-3-carboxylate

Systemtic Name: methyl (2R,3S)-2-(4-nitrophenyl)-3-(trifluoromethyl)-1,4-oxathiane-3-carboxylate Openeye Name: methyl (2R,3S)-2-(4-nitrophenyl)-3-(trifluoromethyl)-1,4-oxathiane-3-carboxylate CAS Name: (2R,3S)-2-(4-nitrophenyl)-3-(trifluoromethyl)-1,4-oxathiane-3-carboxylic acid methyl ester IUPAC Name: methyl (2R,3S)-2-(4-nitrophenyl)-3-(trifluoromethyl)-1,4-oxathiane-3-carboxylate Traditional Name: (2R,3S)-2-(4-nitrophenyl)-3-(trifluoromethyl)-1,4-oxathiane-3-carboxylic acid methyl ester Formula: C13H12F3NO5S MolecularWeight: 351.29829

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(OCCS1)C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

COC(=O)[C@@]1([C@H](OCCS1)C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H12F3NO5S/c1-21-11(18)12(13(14,15)16)10(22-6-7-23-12)8-2-4-9(5-3-8)17(19)20/h2-5,10H,6-7H2,1H3/t10-,12+/m1/s1