4-(4-methylphenyl)-4-(trifluoromethyl)-1,5,3-oxathiazepan-2-one

Systemtic Name: 4-(4-methylphenyl)-4-(trifluoromethyl)-1,5,3-oxathiazepan-2-one Openeye Name: 4-(p-tolyl)-4-(trifluoromethyl)-1,5,3-oxathiazepan-2-one CAS Name: 4-(4-methylphenyl)-4-(trifluoromethyl)-1,5,3-oxathiazepan-2-one IUPAC Name: 4-(4-methylphenyl)-4-(trifluoromethyl)-1,5,3-oxathiazepan-2-one Traditional Name: 4-(p-tolyl)-4-(trifluoromethyl)-1,5,3-oxathiazepan-2-one Formula: C12H12F3NO2S MolecularWeight: 291.28939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(NC(=O)OCCS2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2(NC(=O)OCCS2)C(F)(F)F

InChI

InChI=1S/C12H12F3NO2S/c1-8-2-4-9(5-3-8)11(12(13,14)15)16-10(17)18-6-7-19-11/h2-5H,6-7H2,1H3,(H,16,17)