(3,5-dimethylphenyl) 6-bromanyl-1,5,5-trimethyl-bicyclo[2.1.1]hexane-4-carboxylate

Systemtic Name: (3,5-dimethylphenyl) 6-bromanyl-1,5,5-trimethyl-bicyclo[2.1.1]hexane-4-carboxylate Openeye Name: (3,5-dimethylphenyl) 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 (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 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 (3,5-dimethylphenyl) ester Formula: C18H23BrO2 MolecularWeight: 351.27802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrO2/c1-11-8-12(2)10-13(9-11)21-15(20)18-7-6-17(5,14(18)19)16(18,3)4/h8-10,14H,6-7H2,1-5H3