3-bromanyl-5-chloranyl-2-hexoxy-benzoate

Systemtic Name: 3-bromanyl-5-chloranyl-2-hexoxy-benzoate Openeye Name: 3-bromo-5-chloro-2-hexoxy-benzoate CAS Name: 3-bromo-5-chloro-2-hexoxybenzoate IUPAC Name: 3-bromo-5-chloro-2-hexoxybenzoate Traditional Name: 3-bromo-5-chloro-2-hexoxy-benzoate Formula: C13H15BrClO3- MolecularWeight: 334.6134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1C(=O)[O-])Cl)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1C(=O)[O-])Cl)Br

InChI

InChI=1S/C13H16BrClO3/c1-2-3-4-5-6-18-12-10(13(16)17)7-9(15)8-11(12)14/h7-8H,2-6H2,1H3,(H,16,17)/p-1