methyl 2-bromanyl-2-(4-methylphenyl)carbonyl-butanoate

Systemtic Name: methyl 2-bromanyl-2-(4-methylphenyl)carbonyl-butanoate Openeye Name: methyl 2-bromo-2-(4-methylbenzoyl)butanoate CAS Name: 2-bromo-2-[(4-methylphenyl)-oxomethyl]butanoic acid methyl ester IUPAC Name: methyl 2-bromo-2-(4-methylbenzoyl)butanoate Traditional Name: 2-bromo-2-p-toluoyl-butyric acid methyl ester Formula: C13H15BrO3 MolecularWeight: 299.1604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrO3/c1-4-13(14,12(16)17-3)11(15)10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3