propan-2-yl 6-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfonyl]cyclohexene-1-carboxylate

Systemtic Name: propan-2-yl 6-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfonyl]cyclohexene-1-carboxylate Openeye Name: isopropyl 6-[(2-chloro-4-fluoro-phenyl)methylsulfonyl]cyclohexene-1-carboxylate CAS Name: 6-[(2-chloro-4-fluorophenyl)methylsulfonyl]-1-cyclohexenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-[(2-chloro-4-fluorophenyl)methylsulfonyl]cyclohexene-1-carboxylate Traditional Name: 6-(2-chloro-4-fluoro-benzyl)sulfonylcyclohexene-1-carboxylic acid isopropyl ester Formula: C17H20ClFO4S MolecularWeight: 374.854703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClFO4S/c1-11(2)23-17(20)14-5-3-4-6-16(14)24(21,22)10-12-7-8-13(19)9-15(12)18/h5,7-9,11,16H,3-4,6,10H2,1-2H3