methyl 3-bromanyl-2-oxidanylidene-cycloheptane-1-carboxylate

Systemtic Name: methyl 3-bromanyl-2-oxidanylidene-cycloheptane-1-carboxylate Openeye Name: methyl 3-bromo-2-oxo-cycloheptanecarboxylate CAS Name: 3-bromo-2-oxo-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 3-bromo-2-oxocycloheptane-1-carboxylate Traditional Name: 3-bromo-2-keto-cycloheptanecarboxylic acid methyl ester Formula: C9H13BrO3 MolecularWeight: 249.10172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCC(C1=O)Br

Isomeric SMILES

COC(=O)C1CCCCC(C1=O)Br

InChI

InChI=1S/C9H13BrO3/c1-13-9(12)6-4-2-3-5-7(10)8(6)11/h6-7H,2-5H2,1H3