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

Systemtic Name: [8-chloranyl-3-(hydroxymethyl)-4-oxidanylidene-2H-thiochromen-3-yl]methyl 2-(trifluoromethyl)benzoate Openeye Name: [8-chloro-3-(hydroxymethyl)-4-oxo-thiochroman-3-yl]methyl 2-(trifluoromethyl)benzoate CAS Name: 2-(trifluoromethyl)benzoic acid [8-chloro-3-(hydroxymethyl)-4-oxo-2H-1-benzothiopyran-3-yl]methyl ester IUPAC Name: [8-chloro-3-(hydroxymethyl)-4-oxo-2H-thiochromen-3-yl]methyl 2-(trifluoromethyl)benzoate Traditional Name: 2-(trifluoromethyl)benzoic acid (8-chloro-4-keto-3-methylol-thiochroman-3-yl)methyl ester Formula: C19H14ClF3O4S MolecularWeight: 430.82527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClF3O4S/c20-14-7-3-5-12-15(14)28-10-18(8-24,16(12)25)9-27-17(26)11-4-1-2-6-13(11)19(21,22)23/h1-7,24H,8-10H2