[(1S)-2-oxidanylidenecyclohexyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [(1S)-2-ketocyclohexyl] ester Formula: C16H15BrO4 MolecularWeight: 351.1919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OC3CCCCC3=O

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)O[C@H]3CCCCC3=O

InChI

InChI=1S/C16H15BrO4/c1-9-11-8-10(17)6-7-13(11)20-15(9)16(19)21-14-5-3-2-4-12(14)18/h6-8,14H,2-5H2,1H3/t14-/m0/s1