(3-ethoxycarbonylphenyl) 5-bromanyl-2-hexoxy-benzoate

Systemtic Name: (3-ethoxycarbonylphenyl) 5-bromanyl-2-hexoxy-benzoate Openeye Name: (3-ethoxycarbonylphenyl) 5-bromo-2-hexoxy-benzoate CAS Name: 5-bromo-2-hexoxybenzoic acid (3-ethoxycarbonylphenyl) ester IUPAC Name: (3-ethoxycarbonylphenyl) 5-bromo-2-hexoxybenzoate Traditional Name: 5-bromo-2-hexoxy-benzoic acid (3-carbethoxyphenyl) ester Formula: C22H25BrO5 MolecularWeight: 449.3349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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