[6-fluoranyl-3-(hydroxymethyl)-4-oxidanylidene-2H-thiochromen-3-yl]methyl 2-(trifluoromethyl)benzoate

Systemtic Name: [6-fluoranyl-3-(hydroxymethyl)-4-oxidanylidene-2H-thiochromen-3-yl]methyl 2-(trifluoromethyl)benzoate Openeye Name: [6-fluoro-3-(hydroxymethyl)-4-oxo-thiochroman-3-yl]methyl 2-(trifluoromethyl)benzoate CAS Name: 2-(trifluoromethyl)benzoic acid [6-fluoro-3-(hydroxymethyl)-4-oxo-2H-1-benzothiopyran-3-yl]methyl ester IUPAC Name: [6-fluoro-3-(hydroxymethyl)-4-oxo-2H-thiochromen-3-yl]methyl 2-(trifluoromethyl)benzoate Traditional Name: 2-(trifluoromethyl)benzoic acid (6-fluoro-4-keto-3-methylol-thiochroman-3-yl)methyl ester Formula: C19H14F4O4S MolecularWeight: 414.370673

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=C(S1)C=CC(=C2)F)(CO)COC(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1C(C(=O)C2=C(S1)C=CC(=C2)F)(CO)COC(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H14F4O4S/c20-11-5-6-15-13(7-11)16(25)18(8-24,10-28-15)9-27-17(26)12-3-1-2-4-14(12)19(21,22)23/h1-7,24H,8-10H2