4-(4-bromanyl-2,5-dimethyl-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-bromanyl-2,5-dimethyl-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-bromo-2,5-dimethyl-phenyl)-4-oxo-butanoic acid CAS Name: 4-(4-bromo-2,5-dimethylphenyl)-4-oxobutanoic acid IUPAC Name: 4-(4-bromo-2,5-dimethylphenyl)-4-oxobutanoic acid Traditional Name: 4-(4-bromo-2,5-dimethyl-phenyl)-4-keto-butyric acid Formula: C12H13BrO3 MolecularWeight: 285.13382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CCC(=O)O)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CCC(=O)O)C)Br

InChI

InChI=1S/C12H13BrO3/c1-7-6-10(13)8(2)5-9(7)11(14)3-4-12(15)16/h5-6H,3-4H2,1-2H3,(H,15,16)