[(1S,6R,8R)-6-methyl-4-oxidanylidene-8-bicyclo[4.2.0]octanyl] 4-bromanylbenzoate

Systemtic Name: [(1S,6R,8R)-6-methyl-4-oxidanylidene-8-bicyclo[4.2.0]octanyl] 4-bromanylbenzoate Openeye Name: [(1S,6R,8R)-6-methyl-4-oxo-8-bicyclo[4.2.0]octanyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(1S,6R,8R)-6-methyl-4-oxo-8-bicyclo[4.2.0]octanyl] ester IUPAC Name: [(1S,6R,8R)-6-methyl-4-oxo-8-bicyclo[4.2.0]octanyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1S,6R,8R)-4-keto-6-methyl-8-bicyclo[4.2.0]octanyl] ester Formula: C16H17BrO3 MolecularWeight: 337.20838

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C1CCC(=O)C2)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@]12C[C@H]([C@H]1CCC(=O)C2)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H17BrO3/c1-16-8-12(18)6-7-13(16)14(9-16)20-15(19)10-2-4-11(17)5-3-10/h2-5,13-14H,6-9H2,1H3/t13-,14-,16+/m1/s1