ethyl 3-bromanyl-5-oxidanyl-4-propyl-benzoate

Systemtic Name: ethyl 3-bromanyl-5-oxidanyl-4-propyl-benzoate Openeye Name: ethyl 3-bromo-5-hydroxy-4-propyl-benzoate CAS Name: 3-bromo-5-hydroxy-4-propylbenzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-5-hydroxy-4-propylbenzoate Traditional Name: 3-bromo-5-hydroxy-4-propyl-benzoic acid ethyl ester Formula: C12H15BrO3 MolecularWeight: 287.1497

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1Br)C(=O)OCC)O

Isomeric SMILES

CCCC1=C(C=C(C=C1Br)C(=O)OCC)O

InChI

InChI=1S/C12H15BrO3/c1-3-5-9-10(13)6-8(7-11(9)14)12(15)16-4-2/h6-7,14H,3-5H2,1-2H3