[4-oxidanylidene-3-(phenylmethyl)-2,3-dihydrochromen-7-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-oxidanylidene-3-(phenylmethyl)-2,3-dihydrochromen-7-yl] tris(fluoranyl)methanesulfonate Openeye Name: (3-benzyl-4-oxo-chroman-7-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-oxo-3-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-4-oxo-2,3-dihydrochromen-7-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (3-benzyl-4-keto-chroman-7-yl) ester Formula: C17H13F3O5S MolecularWeight: 386.34233

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=C(O1)C=C(C=C2)OS(=O)(=O)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

C1C(C(=O)C2=C(O1)C=C(C=C2)OS(=O)(=O)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C17H13F3O5S/c18-17(19,20)26(22,23)25-13-6-7-14-15(9-13)24-10-12(16(14)21)8-11-4-2-1-3-5-11/h1-7,9,12H,8,10H2