(1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 2,3,4-tris(fluoranyl)benzenesulfonate

Systemtic Name: (1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 2,3,4-tris(fluoranyl)benzenesulfonate Openeye Name: (1,7-dimethyl-3-oxo-indan-4-yl) 2,3,4-trifluorobenzenesulfonate CAS Name: 2,3,4-trifluorobenzenesulfonic acid (1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) ester IUPAC Name: (1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) 2,3,4-trifluorobenzenesulfonate Traditional Name: 2,3,4-trifluorobenzenesulfonic acid (3-keto-1,7-dimethyl-indan-4-yl) ester Formula: C17H13F3O4S MolecularWeight: 370.34293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F3O4S/c1-8-3-5-12(15-11(21)7-9(2)14(8)15)24-25(22,23)13-6-4-10(18)16(19)17(13)20/h3-6,9H,7H2,1-2H3