(2-ethoxycarbonylphenyl) 3-bromanyl-4-hexoxy-benzoate

Systemtic Name: (2-ethoxycarbonylphenyl) 3-bromanyl-4-hexoxy-benzoate Openeye Name: (2-ethoxycarbonylphenyl) 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid (2-ethoxycarbonylphenyl) ester IUPAC Name: (2-ethoxycarbonylphenyl) 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid (2-carbethoxyphenyl) 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=CC=CC=C2C(=O)OCC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2C(=O)OCC)Br

InChI

InChI=1S/C22H25BrO5/c1-3-5-6-9-14-27-20-13-12-16(15-18(20)23)21(24)28-19-11-8-7-10-17(19)22(25)26-4-2/h7-8,10-13,15H,3-6,9,14H2,1-2H3