1-[6-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfonyl]cyclohexen-1-yl]propan-1-one

Systemtic Name: 1-[6-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfonyl]cyclohexen-1-yl]propan-1-one Openeye Name: 1-[6-[(2-chloro-4-fluoro-phenyl)methylsulfonyl]cyclohexen-1-yl]propan-1-one CAS Name: 1-[6-[(2-chloro-4-fluorophenyl)methylsulfonyl]-1-cyclohexenyl]-1-propanone IUPAC Name: 1-[6-[(2-chloro-4-fluorophenyl)methylsulfonyl]cyclohexen-1-yl]propan-1-one Traditional Name: 1-[6-(2-chloro-4-fluoro-benzyl)sulfonylcyclohexen-1-yl]propan-1-one Formula: C16H18ClFO3S MolecularWeight: 344.828723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClFO3S/c1-2-15(19)13-5-3-4-6-16(13)22(20,21)10-11-7-8-12(18)9-14(11)17/h5,7-9,16H,2-4,6,10H2,1H3