ethyl (6R)-6-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfonyl]cyclohexene-1-carboxylate

Systemtic Name: ethyl (6R)-6-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfonyl]cyclohexene-1-carboxylate Openeye Name: ethyl (6R)-6-[(2-chloro-4-fluoro-phenyl)methylsulfonyl]cyclohexene-1-carboxylate CAS Name: (6R)-6-[(2-chloro-4-fluorophenyl)methylsulfonyl]-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-[(2-chloro-4-fluorophenyl)methylsulfonyl]cyclohexene-1-carboxylate Traditional Name: (6R)-6-(2-chloro-4-fluoro-benzyl)sulfonylcyclohexene-1-carboxylic acid ethyl ester Formula: C16H18ClFO4S MolecularWeight: 360.828123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)CC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C16H18ClFO4S/c1-2-22-16(19)13-5-3-4-6-15(13)23(20,21)10-11-7-8-12(18)9-14(11)17/h5,7-9,15H,2-4,6,10H2,1H3/t15-/m1/s1