2,3-bis(bromanyl)-3-[4-(2-oxidanylidenepropyl)phenyl]propanoate

Systemtic Name: 2,3-bis(bromanyl)-3-[4-(2-oxidanylidenepropyl)phenyl]propanoate Openeye Name: 3-(4-acetonylphenyl)-2,3-dibromo-propanoate CAS Name: 2,3-dibromo-3-[4-(2-oxopropyl)phenyl]propanoate IUPAC Name: 2,3-dibromo-3-[4-(2-oxopropyl)phenyl]propanoate Traditional Name: 3-(4-acetonylphenyl)-2,3-dibromo-propionate Formula: C12H11Br2O3- MolecularWeight: 363.02194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CC=C(C=C1)C(C(C(=O)[O-])Br)Br

Isomeric SMILES

CC(=O)CC1=CC=C(C=C1)C(C(C(=O)[O-])Br)Br

InChI

InChI=1S/C12H12Br2O3/c1-7(15)6-8-2-4-9(5-3-8)10(13)11(14)12(16)17/h2-5,10-11H,6H2,1H3,(H,16,17)/p-1