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

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C17H8F6O5S MolecularWeight: 438.297839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H8F6O5S/c18-16(19,20)9-2-1-3-11(6-9)29(25,26)28-10-4-5-12-13(17(21,22)23)8-15(24)27-14(12)7-10/h1-8H