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

Systemtic Name: butyl 6-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfonyl]cyclohexene-1-carboxylate Openeye Name: butyl 6-[(2-chloro-4-fluoro-phenyl)methylsulfonyl]cyclohexene-1-carboxylate CAS Name: 6-[(2-chloro-4-fluorophenyl)methylsulfonyl]-1-cyclohexenecarboxylic acid butyl ester IUPAC Name: butyl 6-[(2-chloro-4-fluorophenyl)methylsulfonyl]cyclohexene-1-carboxylate Traditional Name: 6-(2-chloro-4-fluoro-benzyl)sulfonylcyclohexene-1-carboxylic acid butyl ester Formula: C18H22ClFO4S MolecularWeight: 388.881283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClFO4S/c1-2-3-10-24-18(21)15-6-4-5-7-17(15)25(22,23)12-13-8-9-14(20)11-16(13)19/h6,8-9,11,17H,2-5,7,10,12H2,1H3