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

Systemtic Name: methyl 6-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfonyl]cyclohexene-1-carboxylate Openeye Name: methyl 6-[(2-chloro-4-fluoro-phenyl)methylsulfonyl]cyclohexene-1-carboxylate CAS Name: 6-[(2-chloro-4-fluorophenyl)methylsulfonyl]-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 6-[(2-chloro-4-fluorophenyl)methylsulfonyl]cyclohexene-1-carboxylate Traditional Name: 6-(2-chloro-4-fluoro-benzyl)sulfonylcyclohexene-1-carboxylic acid methyl ester Formula: C15H16ClFO4S MolecularWeight: 346.801543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClFO4S/c1-21-15(18)12-4-2-3-5-14(12)22(19,20)9-10-6-7-11(17)8-13(10)16/h4,6-8,14H,2-3,5,9H2,1H3