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

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 3,4-diethoxybenzenesulfonate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 3,4-diethoxybenzenesulfonate CAS Name: 3,4-diethoxybenzenesulfonic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 3,4-diethoxybenzenesulfonate Traditional Name: 3,4-diethoxybenzenesulfonic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C20H17F3O7S MolecularWeight: 458.40499

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)OCC

InChI

InChI=1S/C20H17F3O7S/c1-3-27-16-8-6-13(10-18(16)28-4-2)31(25,26)30-12-5-7-14-15(20(21,22)23)11-19(24)29-17(14)9-12/h5-11H,3-4H2,1-2H3