hexyl 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: hexyl 5-bromanyl-2-oxidanyl-benzoate Openeye Name: hexyl 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid hexyl ester IUPAC Name: hexyl 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid hexyl ester Formula: C13H17BrO3 MolecularWeight: 301.17628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrO3/c1-2-3-4-5-8-17-13(16)11-9-10(14)6-7-12(11)15/h6-7,9,15H,2-5,8H2,1H3