[(1S)-2-oxidanylidenecyclohexyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C13H13BrO4 MolecularWeight: 313.14392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C13H13BrO4/c14-8-5-6-10(15)9(7-8)13(17)18-12-4-2-1-3-11(12)16/h5-7,12,15H,1-4H2/t12-/m0/s1