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

Systemtic Name: [(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 2-(trifluoromethyl)benzenesulfonate Openeye Name: [(1S)-1,7-dimethyl-3-oxo-indan-4-yl] 2-(trifluoromethyl)benzenesulfonate CAS Name: 2-(trifluoromethyl)benzenesulfonic 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] 2-(trifluoromethyl)benzenesulfonate Traditional Name: 2-(trifluoromethyl)benzenesulfonic acid [(1S)-3-keto-1,7-dimethyl-indan-4-yl] ester Formula: C18H15F3O4S MolecularWeight: 384.36951

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C[C@H]1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C18H15F3O4S/c1-10-7-8-14(17-13(22)9-11(2)16(10)17)25-26(23,24)15-6-4-3-5-12(15)18(19,20)21/h3-8,11H,9H2,1-2H3/t11-/m0/s1