[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 3-ethanoylbenzenesulfonate

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 3-ethanoylbenzenesulfonate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 3-acetylbenzenesulfonate CAS Name: 3-acetylbenzenesulfonic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 3-acetylbenzenesulfonate Traditional Name: 3-acetylbenzenesulfonic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C18H11F3O6S MolecularWeight: 412.33655

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

InChI=1S/C18H11F3O6S/c1-10(22)11-3-2-4-13(7-11)28(24,25)27-12-5-6-14-15(18(19,20)21)9-17(23)26-16(14)8-12/h2-9H,1H3