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

Systemtic Name: [(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 3-chloranyl-4-fluoranyl-benzenesulfonate Openeye Name: [(1S)-1,7-dimethyl-3-oxo-indan-4-yl] 3-chloro-4-fluoro-benzenesulfonate CAS Name: 3-chloro-4-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] 3-chloro-4-fluorobenzenesulfonate Traditional Name: 3-chloro-4-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=CC(=C(C=C3)F)Cl

Isomeric SMILES

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

InChI

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