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

Systemtic Name: [(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 4-chloranyl-2-fluoranyl-benzenesulfonate Openeye Name: [(1S)-1,7-dimethyl-3-oxo-indan-4-yl] 4-chloro-2-fluoro-benzenesulfonate CAS Name: 4-chloro-2-fluorobenzenesulfonic 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-chloro-2-fluorobenzenesulfonate Traditional Name: 4-chloro-2-fluoro-benzenesulfonic acid [(1S)-3-keto-1,7-dimethyl-indan-4-yl] ester Formula: C17H14ClFO4S MolecularWeight: 368.807063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClFO4S/c1-9-3-5-14(17-13(20)7-10(2)16(9)17)23-24(21,22)15-6-4-11(18)8-12(15)19/h3-6,8,10H,7H2,1-2H3/t10-/m0/s1