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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrO5/c1-3-4-5-8-13-26-19-12-11-15(14-17(19)22)20(23)27-18-10-7-6-9-16(18)21(24)25-2/h6-7,9-12,14H,3-5,8,13H2,1-2H3