[2-(3,5-dimethyl-6-oxidanyl-4-oxidanylidene-pyran-2-yl)-1-benzofuran-6-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-(3,5-dimethyl-6-oxidanyl-4-oxidanylidene-pyran-2-yl)-1-benzofuran-6-yl] tris(fluoranyl)methanesulfonate Openeye Name: [2-(6-hydroxy-3,5-dimethyl-4-oxo-pyran-2-yl)benzofuran-6-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-(6-hydroxy-3,5-dimethyl-4-oxo-2-pyranyl)-6-benzofuranyl] ester IUPAC Name: [2-(6-hydroxy-3,5-dimethyl-4-oxopyran-2-yl)-1-benzofuran-6-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-(6-hydroxy-4-keto-3,5-dimethyl-pyran-2-yl)benzofuran-6-yl] ester Formula: C16H11F3O7S MolecularWeight: 404.31455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C(C1=O)C)O)C2=CC3=C(O2)C=C(C=C3)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=C(OC(=C(C1=O)C)O)C2=CC3=C(O2)C=C(C=C3)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H11F3O7S/c1-7-13(20)8(2)15(21)25-14(7)12-5-9-3-4-10(6-11(9)24-12)26-27(22,23)16(17,18)19/h3-6,21H,1-2H3