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

Systemtic Name: 6-bromanyl-2,4,4-trimethyl-3-[(3-nitrophenyl)sulfonylmethyl]cyclohex-2-en-1-one Openeye Name: 6-bromo-2,4,4-trimethyl-3-[(3-nitrophenyl)sulfonylmethyl]cyclohex-2-en-1-one CAS Name: 6-bromo-2,4,4-trimethyl-3-[(3-nitrophenyl)sulfonylmethyl]-1-cyclohex-2-enone IUPAC Name: 6-bromo-2,4,4-trimethyl-3-[(3-nitrophenyl)sulfonylmethyl]cyclohex-2-en-1-one Traditional Name: 6-bromo-2,4,4-trimethyl-3-[(3-nitrophenyl)sulfonylmethyl]cyclohex-2-en-1-one Formula: C16H18BrNO5S MolecularWeight: 416.28682

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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)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(CC(C1=O)Br)(C)C)CS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18BrNO5S/c1-10-13(16(2,3)8-14(17)15(10)19)9-24(22,23)12-6-4-5-11(7-12)18(20)21/h4-7,14H,8-9H2,1-3H3