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

Systemtic Name: propyl 4-[7-methylsulfonyloxy-4-oxidanylidene-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H17F3O8S MolecularWeight: 486.41509

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=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

CCCOC(=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/C21H17F3O8S/c1-3-10-29-20(26)12-4-6-13(7-5-12)30-18-17(25)15-9-8-14(32-33(2,27)28)11-16(15)31-19(18)21(22,23)24/h4-9,11H,3,10H2,1-2H3