[(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 3,5-bis(fluoranyl)benzenesulfonate

Systemtic Name: [(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 3,5-bis(fluoranyl)benzenesulfonate Openeye Name: [(1S)-1,7-dimethyl-3-oxo-indan-4-yl] 3,5-difluorobenzenesulfonate CAS Name: 3,5-difluorobenzenesulfonic acid [(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl] ester IUPAC Name: [(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl] 3,5-difluorobenzenesulfonate Traditional Name: 3,5-difluorobenzenesulfonic acid [(1S)-3-keto-1,7-dimethyl-indan-4-yl] ester Formula: C17H14F2O4S MolecularWeight: 352.352466

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC(=CC(=C3)F)F

Isomeric SMILES

C[C@H]1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC(=CC(=C3)F)F

InChI

InChI=1S/C17H14F2O4S/c1-9-3-4-15(17-14(20)5-10(2)16(9)17)23-24(21,22)13-7-11(18)6-12(19)8-13/h3-4,6-8,10H,5H2,1-2H3/t10-/m0/s1