6-bromanyl-3-[(3-fluorophenyl)sulfonylmethyl]-2,4,4-trimethyl-cyclohex-2-en-1-one

Systemtic Name: 6-bromanyl-3-[(3-fluorophenyl)sulfonylmethyl]-2,4,4-trimethyl-cyclohex-2-en-1-one Openeye Name: 6-bromo-3-[(3-fluorophenyl)sulfonylmethyl]-2,4,4-trimethyl-cyclohex-2-en-1-one CAS Name: 6-bromo-3-[(3-fluorophenyl)sulfonylmethyl]-2,4,4-trimethyl-1-cyclohex-2-enone IUPAC Name: 6-bromo-3-[(3-fluorophenyl)sulfonylmethyl]-2,4,4-trimethylcyclohex-2-en-1-one Traditional Name: 6-bromo-3-[(3-fluorophenyl)sulfonylmethyl]-2,4,4-trimethyl-cyclohex-2-en-1-one Formula: C16H18BrFO3S MolecularWeight: 389.279723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(C1=O)Br)(C)C)CS(=O)(=O)C2=CC=CC(=C2)F

Isomeric SMILES

CC1=C(C(CC(C1=O)Br)(C)C)CS(=O)(=O)C2=CC=CC(=C2)F

InChI

InChI=1S/C16H18BrFO3S/c1-10-13(16(2,3)8-14(17)15(10)19)9-22(20,21)12-6-4-5-11(18)7-12/h4-7,14H,8-9H2,1-3H3