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

Systemtic Name: [(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 4-bromanylbenzenesulfonate Openeye Name: [(1S)-1,7-dimethyl-3-oxo-indan-4-yl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic 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-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [(1S)-3-keto-1,7-dimethyl-indan-4-yl] ester Formula: C17H15BrO4S MolecularWeight: 395.2676

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrO4S/c1-10-3-8-15(17-14(19)9-11(2)16(10)17)22-23(20,21)13-6-4-12(18)5-7-13/h3-8,11H,9H2,1-2H3/t11-/m0/s1