methyl 1-[(E)-4-bromanylbut-2-enyl]-2-oxidanylidene-cycloheptane-1-carboxylate

Systemtic Name: methyl 1-[(E)-4-bromanylbut-2-enyl]-2-oxidanylidene-cycloheptane-1-carboxylate Openeye Name: methyl 1-[(E)-4-bromobut-2-enyl]-2-oxo-cycloheptanecarboxylate CAS Name: 1-[(E)-4-bromobut-2-enyl]-2-oxo-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-4-bromobut-2-enyl]-2-oxocycloheptane-1-carboxylate Traditional Name: 1-[(E)-4-bromobut-2-enyl]-2-keto-cycloheptanecarboxylic acid methyl ester Formula: C13H19BrO3 MolecularWeight: 303.19216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCCC1=O)CC=CCBr

Isomeric SMILES

COC(=O)C1(CCCCCC1=O)C/C=C/CBr

InChI

InChI=1S/C13H19BrO3/c1-17-12(16)13(9-5-6-10-14)8-4-2-3-7-11(13)15/h5-6H,2-4,7-10H2,1H3/b6-5+