3-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]methyl]-4-methoxy-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]methyl]-4-methoxy-4-oxidanylidene-butanoic acid Openeye Name: 3-[(3,5-dibromo-4-hydroxy-phenyl)methyl]-4-methoxy-4-oxo-butanoic acid CAS Name: 3-[(3,5-dibromo-4-hydroxyphenyl)methyl]-4-methoxy-4-oxobutanoic acid IUPAC Name: 3-[(3,5-dibromo-4-hydroxyphenyl)methyl]-4-methoxy-4-oxobutanoic acid Traditional Name: 3-(3,5-dibromo-4-hydroxy-benzyl)-4-keto-4-methoxy-butyric acid Formula: C12H12Br2O5 MolecularWeight: 396.02868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C(=C1)Br)O)Br)CC(=O)O

Isomeric SMILES

COC(=O)C(CC1=CC(=C(C(=C1)Br)O)Br)CC(=O)O

InChI

InChI=1S/C12H12Br2O5/c1-19-12(18)7(5-10(15)16)2-6-3-8(13)11(17)9(14)4-6/h3-4,7,17H,2,5H2,1H3,(H,15,16)