ethyl 6-[(3-chloranyl-2-fluoranyl-phenyl)methylsulfonyl]cyclohexene-1-carboxylate

Systemtic Name: ethyl 6-[(3-chloranyl-2-fluoranyl-phenyl)methylsulfonyl]cyclohexene-1-carboxylate Openeye Name: ethyl 6-[(3-chloro-2-fluoro-phenyl)methylsulfonyl]cyclohexene-1-carboxylate CAS Name: 6-[(3-chloro-2-fluorophenyl)methylsulfonyl]-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(3-chloro-2-fluorophenyl)methylsulfonyl]cyclohexene-1-carboxylate Traditional Name: 6-(3-chloro-2-fluoro-benzyl)sulfonylcyclohexene-1-carboxylic acid ethyl ester Formula: C16H18ClFO4S MolecularWeight: 360.828123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCCCC1S(=O)(=O)CC2=C(C(=CC=C2)Cl)F

Isomeric SMILES

CCOC(=O)C1=CCCCC1S(=O)(=O)CC2=C(C(=CC=C2)Cl)F

InChI

InChI=1S/C16H18ClFO4S/c1-2-22-16(19)12-7-3-4-9-14(12)23(20,21)10-11-6-5-8-13(17)15(11)18/h5-8,14H,2-4,9-10H2,1H3