methyl 3-(3-bromanyl-4-oxidanylidene-butyl)benzoate

Systemtic Name: methyl 3-(3-bromanyl-4-oxidanylidene-butyl)benzoate Openeye Name: methyl 3-(3-bromo-4-oxo-butyl)benzoate CAS Name: 3-(3-bromo-4-oxobutyl)benzoic acid methyl ester IUPAC Name: methyl 3-(3-bromo-4-oxobutyl)benzoate Traditional Name: 3-(3-bromo-4-keto-butyl)benzoic acid methyl ester Formula: C12H13BrO3 MolecularWeight: 285.13382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CCC(C=O)Br

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CCC(C=O)Br

InChI

InChI=1S/C12H13BrO3/c1-16-12(15)10-4-2-3-9(7-10)5-6-11(13)8-14/h2-4,7-8,11H,5-6H2,1H3