6-[(2-iodanylphenyl)methyl]-4,8,8-trimethyl-6-methylsulfanyl-bicyclo[3.2.1]oct-3-en-7-one

Systemtic Name: 6-[(2-iodanylphenyl)methyl]-4,8,8-trimethyl-6-methylsulfanyl-bicyclo[3.2.1]oct-3-en-7-one Openeye Name: 6-[(2-iodophenyl)methyl]-4,8,8-trimethyl-6-methylsulfanyl-bicyclo[3.2.1]oct-3-en-7-one CAS Name: 6-[(2-iodophenyl)methyl]-4,8,8-trimethyl-6-(methylthio)-7-bicyclo[3.2.1]oct-3-enone IUPAC Name: 6-[(2-iodophenyl)methyl]-4,8,8-trimethyl-6-methylsulfanylbicyclo[3.2.1]oct-3-en-7-one Traditional Name: 6-(2-iodobenzyl)-4,8,8-trimethyl-6-(methylthio)bicyclo[3.2.1]oct-3-en-7-one Formula: C19H23IOS MolecularWeight: 426.35479

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(=O)C(C1C2(C)C)(CC3=CC=CC=C3I)SC

Isomeric SMILES

CC1=CCC2C(=O)C(C1C2(C)C)(CC3=CC=CC=C3I)SC

InChI

InChI=1S/C19H23IOS/c1-12-9-10-14-17(21)19(22-4,16(12)18(14,2)3)11-13-7-5-6-8-15(13)20/h5-9,14,16H,10-11H2,1-4H3