2-[4-(3-bromanylpropyl)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[4-(3-bromanylpropyl)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 2-[4-(3-bromopropyl)phenyl]-4-oxo-butanoic acid CAS Name: 2-[4-(3-bromopropyl)phenyl]-4-oxobutanoic acid IUPAC Name: 2-[4-(3-bromopropyl)phenyl]-4-oxobutanoic acid Traditional Name: 2-[4-(3-bromopropyl)phenyl]-4-keto-butyric acid Formula: C13H15BrO3 MolecularWeight: 299.1604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCBr)C(CC=O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCBr)C(CC=O)C(=O)O

InChI

InChI=1S/C13H15BrO3/c14-8-1-2-10-3-5-11(6-4-10)12(7-9-15)13(16)17/h3-6,9,12H,1-2,7-8H2,(H,16,17)