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

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 4-methylbenzenesulfonate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C17H11F3O5S MolecularWeight: 384.32645

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

InChI=1S/C17H11F3O5S/c1-10-2-5-12(6-3-10)26(22,23)25-11-4-7-13-14(17(18,19)20)9-16(21)24-15(13)8-11/h2-9H,1H3