2-[[4-(4-bromanylbutanoyl)phenyl]methyl]propanedioic acid

Systemtic Name: 2-[[4-(4-bromanylbutanoyl)phenyl]methyl]propanedioic acid Openeye Name: 2-[[4-(4-bromobutanoyl)phenyl]methyl]propanedioic acid CAS Name: 2-[[4-(4-bromo-1-oxobutyl)phenyl]methyl]propanedioic acid IUPAC Name: 2-[[4-(4-bromobutanoyl)phenyl]methyl]propanedioic acid Traditional Name: 2-[4-(4-bromobutanoyl)benzyl]malonic acid Formula: C14H15BrO5 MolecularWeight: 343.1699

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)C(=O)O)C(=O)CCCBr

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)C(=O)O)C(=O)CCCBr

InChI

InChI=1S/C14H15BrO5/c15-7-1-2-12(16)10-5-3-9(4-6-10)8-11(13(17)18)14(19)20/h3-6,11H,1-2,7-8H2,(H,17,18)(H,19,20)