[2-oxidanylidene-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] 4-fluoranylbenzoate

Systemtic Name: [2-oxidanylidene-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] 4-fluoranylbenzoate Openeye Name: [2-oxo-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-oxo-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] ester IUPAC Name: [2-oxo-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-keto-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] ester Formula: C21H10F4O4S MolecularWeight: 434.360313

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H10F4O4S/c22-14-6-4-11(5-7-14)19(26)28-15-9-16(18-17(10-15)30-20(27)29-18)12-2-1-3-13(8-12)21(23,24)25/h1-10H