3-bromanyl-4-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-bromanyl-4-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: 3-bromo-4-(2-methoxy-5-methyl-phenyl)-4-oxo-butanoic acid CAS Name: 3-bromo-4-(2-methoxy-5-methylphenyl)-4-oxobutanoic acid IUPAC Name: 3-bromo-4-(2-methoxy-5-methylphenyl)-4-oxobutanoic acid Traditional Name: 3-bromo-4-keto-4-(2-methoxy-5-methyl-phenyl)butyric acid Formula: C12H13BrO4 MolecularWeight: 301.13322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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