methyl 4-(4-bromanyl-2-methanoyl-butyl)benzoate

Systemtic Name: methyl 4-(4-bromanyl-2-methanoyl-butyl)benzoate Openeye Name: methyl 4-(4-bromo-2-formyl-butyl)benzoate CAS Name: 4-(4-bromo-2-formylbutyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-bromo-2-formylbutyl)benzoate Traditional Name: 4-(4-bromo-2-formyl-butyl)benzoic acid methyl ester Formula: C13H15BrO3 MolecularWeight: 299.1604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrO3/c1-17-13(16)12-4-2-10(3-5-12)8-11(9-15)6-7-14/h2-5,9,11H,6-8H2,1H3