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

Systemtic Name: (4-ethoxycarbonylphenyl) 3-bromanyl-4-hexoxy-benzoate Openeye Name: (4-ethoxycarbonylphenyl) 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid (4-ethoxycarbonylphenyl) ester IUPAC Name: (4-ethoxycarbonylphenyl) 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid (4-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=C(C=C2)C(=O)OCC)Br

Isomeric SMILES

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

InChI

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