[(1R)-2,6,6-trimethylcyclohexa-2,4-dien-1-yl]methyl 4-bromanylbenzoate

Systemtic Name: [(1R)-2,6,6-trimethylcyclohexa-2,4-dien-1-yl]methyl 4-bromanylbenzoate Openeye Name: [(1R)-2,6,6-trimethylcyclohexa-2,4-dien-1-yl]methyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(1R)-2,6,6-trimethyl-1-cyclohexa-2,4-dienyl]methyl ester IUPAC Name: [(1R)-2,6,6-trimethylcyclohexa-2,4-dien-1-yl]methyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1R)-2,6,6-trimethylcyclohexa-2,4-dien-1-yl]methyl ester Formula: C17H19BrO2 MolecularWeight: 335.23556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(C1COC(=O)C2=CC=C(C=C2)Br)(C)C

Isomeric SMILES

CC1=CC=CC([C@@H]1COC(=O)C2=CC=C(C=C2)Br)(C)C

InChI

InChI=1S/C17H19BrO2/c1-12-5-4-10-17(2,3)15(12)11-20-16(19)13-6-8-14(18)9-7-13/h4-10,15H,11H2,1-3H3/t15-/m1/s1