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

Systemtic Name: 6-bromanyl-3-[(2-methoxyphenyl)sulfonylmethyl]-2,4,4-trimethyl-cyclohex-2-en-1-one Openeye Name: 6-bromo-3-[(2-methoxyphenyl)sulfonylmethyl]-2,4,4-trimethyl-cyclohex-2-en-1-one CAS Name: 6-bromo-3-[(2-methoxyphenyl)sulfonylmethyl]-2,4,4-trimethyl-1-cyclohex-2-enone IUPAC Name: 6-bromo-3-[(2-methoxyphenyl)sulfonylmethyl]-2,4,4-trimethylcyclohex-2-en-1-one Traditional Name: 6-bromo-3-[(2-methoxyphenyl)sulfonylmethyl]-2,4,4-trimethyl-cyclohex-2-en-1-one Formula: C17H21BrO4S MolecularWeight: 401.31524

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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=C2OC

Isomeric SMILES

CC1=C(C(CC(C1=O)Br)(C)C)CS(=O)(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C17H21BrO4S/c1-11-12(17(2,3)9-13(18)16(11)19)10-23(20,21)15-8-6-5-7-14(15)22-4/h5-8,13H,9-10H2,1-4H3