(4-methylphenyl) 6-bromanyl-1,5,5-trimethyl-bicyclo[2.1.1]hexane-4-carboxylate

Systemtic Name: (4-methylphenyl) 6-bromanyl-1,5,5-trimethyl-bicyclo[2.1.1]hexane-4-carboxylate Openeye Name: p-tolyl 6-bromo-1,5,5-trimethyl-bicyclo[2.1.1]hexane-4-carboxylate CAS Name: 6-bromo-1,5,5-trimethyl-4-bicyclo[2.1.1]hexanecarboxylic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 6-bromo-1,5,5-trimethylbicyclo[2.1.1]hexane-4-carboxylate Traditional Name: 6-bromo-1,5,5-trimethyl-bicyclo[2.1.1]hexane-4-carboxylic acid p-tolyl ester Formula: C17H21BrO2 MolecularWeight: 337.25144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C23CCC(C2Br)(C3(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C23CCC(C2Br)(C3(C)C)C

InChI

InChI=1S/C17H21BrO2/c1-11-5-7-12(8-6-11)20-14(19)17-10-9-16(4,13(17)18)15(17,2)3/h5-8,13H,9-10H2,1-4H3