2-bromanyl-4-(3,5-dimethyl-2-oxidanyl-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-bromanyl-4-(3,5-dimethyl-2-oxidanyl-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-bromo-4-(2-hydroxy-3,5-dimethyl-phenyl)-4-oxo-butanoic acid CAS Name: 2-bromo-4-(2-hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid IUPAC Name: 2-bromo-4-(2-hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid Traditional Name: 2-bromo-4-(2-hydroxy-3,5-dimethyl-phenyl)-4-keto-butyric acid Formula: C12H13BrO4 MolecularWeight: 301.13322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrO4/c1-6-3-7(2)11(15)8(4-6)10(14)5-9(13)12(16)17/h3-4,9,15H,5H2,1-2H3,(H,16,17)