dimethyl 2-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[[2-(trifluoromethyl)phenyl]methylene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[2-(trifluoromethyl)benzylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C15H11F3O4S2 MolecularWeight: 376.37065

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=CC2=CC=CC=C2C(F)(F)F)S1)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(=CC2=CC=CC=C2C(F)(F)F)S1)C(=O)OC

InChI

InChI=1S/C15H11F3O4S2/c1-21-13(19)11-12(14(20)22-2)24-10(23-11)7-8-5-3-4-6-9(8)15(16,17)18/h3-7H,1-2H3