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

Systemtic Name: [2-oxidanylidene-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] 4-iodanylbenzoate Openeye Name: [2-oxo-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] 4-iodobenzoate CAS Name: 4-iodobenzoic 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-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-keto-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] ester Formula: C21H10F3IO4S MolecularWeight: 542.26638

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C21H10F3IO4S/c22-21(23,24)13-3-1-2-12(8-13)16-9-15(10-17-18(16)29-20(27)30-17)28-19(26)11-4-6-14(25)7-5-11/h1-10H