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

Systemtic Name: (3-methoxycarbonylphenyl) 3-bromanyl-4-hexoxy-benzoate Openeye Name: (3-methoxycarbonylphenyl) 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid (3-methoxycarbonylphenyl) ester IUPAC Name: (3-methoxycarbonylphenyl) 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid (3-carbomethoxyphenyl) ester Formula: C21H23BrO5 MolecularWeight: 435.30832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrO5/c1-3-4-5-6-12-26-19-11-10-16(14-18(19)22)21(24)27-17-9-7-8-15(13-17)20(23)25-2/h7-11,13-14H,3-6,12H2,1-2H3