(2-ethoxy-4-methanoyl-phenyl) 3-bromanyl-4-hexoxy-benzoate

Systemtic Name: (2-ethoxy-4-methanoyl-phenyl) 3-bromanyl-4-hexoxy-benzoate Openeye Name: (2-ethoxy-4-formyl-phenyl) 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid (2-ethoxy-4-formylphenyl) ester IUPAC Name: (2-ethoxy-4-formylphenyl) 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid (2-ethoxy-4-formyl-phenyl) ester Formula: C22H25BrO5 MolecularWeight: 449.3349

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=O)OCC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=O)OCC)Br

InChI

InChI=1S/C22H25BrO5/c1-3-5-6-7-12-27-19-11-9-17(14-18(19)23)22(25)28-20-10-8-16(15-24)13-21(20)26-4-2/h8-11,13-15H,3-7,12H2,1-2H3