ethyl 3-bromanyl-4-octoxy-benzoate

Systemtic Name: ethyl 3-bromanyl-4-octoxy-benzoate Openeye Name: ethyl 3-bromo-4-octoxy-benzoate CAS Name: 3-bromo-4-octoxybenzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-octoxybenzoate Traditional Name: 3-bromo-4-octoxy-benzoic acid ethyl ester Formula: C17H25BrO3 MolecularWeight: 357.2826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OCC)Br

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OCC)Br

InChI

InChI=1S/C17H25BrO3/c1-3-5-6-7-8-9-12-21-16-11-10-14(13-15(16)18)17(19)20-4-2/h10-11,13H,3-9,12H2,1-2H3