3-bromanyl-4-hexyl-benzoic acid

Systemtic Name: 3-bromanyl-4-hexyl-benzoic acid Openeye Name: 3-bromo-4-hexyl-benzoic acid CAS Name: 3-bromo-4-hexylbenzoic acid IUPAC Name: 3-bromo-4-hexylbenzoic acid Traditional Name: 3-bromo-4-hexyl-benzoic acid Formula: C13H17BrO2 MolecularWeight: 285.17688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)C(=O)O)Br

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)C(=O)O)Br

InChI

InChI=1S/C13H17BrO2/c1-2-3-4-5-6-10-7-8-11(13(15)16)9-12(10)14/h7-9H,2-6H2,1H3,(H,15,16)