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

Systemtic Name: [(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 4-ethanoylbenzenesulfonate Openeye Name: [(1S)-1,7-dimethyl-3-oxo-indan-4-yl] 4-acetylbenzenesulfonate CAS Name: 4-acetylbenzenesulfonic 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] 4-acetylbenzenesulfonate Traditional Name: 4-acetylbenzenesulfonic acid [(1S)-3-keto-1,7-dimethyl-indan-4-yl] ester Formula: C19H18O5S MolecularWeight: 358.40822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18O5S/c1-11-4-9-17(19-16(21)10-12(2)18(11)19)24-25(22,23)15-7-5-14(6-8-15)13(3)20/h4-9,12H,10H2,1-3H3/t12-/m0/s1