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

Systemtic Name: [2-oxidanylidene-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] 4-bromanylbenzoate Openeye Name: [2-oxo-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic 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-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-keto-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] ester Formula: C21H10BrF3O4S MolecularWeight: 495.26591

Click to see the large picture

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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H10BrF3O4S/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