ethyl 4-[7-methylsulfonyloxy-4-oxidanylidene-2-(trifluoromethyl)chromen-3-yl]oxybenzoate

Systemtic Name: ethyl 4-[7-methylsulfonyloxy-4-oxidanylidene-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-methylsulfonyloxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate CAS Name: 4-[[7-methylsulfonyloxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-methylsulfonyloxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Traditional Name: 4-[4-keto-7-methylsulfonyloxy-2-(trifluoromethyl)chromen-3-yl]oxybenzoic acid ethyl ester Formula: C20H15F3O8S MolecularWeight: 472.38851

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OS(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OS(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C20H15F3O8S/c1-3-28-19(25)11-4-6-12(7-5-11)29-17-16(24)14-9-8-13(31-32(2,26)27)10-15(14)30-18(17)20(21,22)23/h4-10H,3H2,1-2H3