4-(3-bromanyl-4-oxidanylidene-butyl)benzoic acid

Systemtic Name: 4-(3-bromanyl-4-oxidanylidene-butyl)benzoic acid Openeye Name: 4-(3-bromo-4-oxo-butyl)benzoic acid CAS Name: 4-(3-bromo-4-oxobutyl)benzoic acid IUPAC Name: 4-(3-bromo-4-oxobutyl)benzoic acid Traditional Name: 4-(3-bromo-4-keto-butyl)benzoic acid Formula: C11H11BrO3 MolecularWeight: 271.10724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(C=O)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCC(C=O)Br)C(=O)O

InChI

InChI=1S/C11H11BrO3/c12-10(7-13)6-3-8-1-4-9(5-2-8)11(14)15/h1-2,4-5,7,10H,3,6H2,(H,14,15)