O2-(2-bromanyl-4-fluoranyl-phenyl) O1-octyl benzene-1,2-dicarboxylate

Systemtic Name: O2-(2-bromanyl-4-fluoranyl-phenyl) O1-octyl benzene-1,2-dicarboxylate Openeye Name: O2-(2-bromo-4-fluoro-phenyl) O1-octyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-(2-bromo-4-fluorophenyl) ester O1-octyl ester IUPAC Name: 2-O-(2-bromo-4-fluorophenyl) 1-O-octyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-(2-bromo-4-fluoro-phenyl) ester O1-octyl ester Formula: C22H24BrFO4 MolecularWeight: 451.325963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)F)Br

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C22H24BrFO4/c1-2-3-4-5-6-9-14-27-21(25)17-10-7-8-11-18(17)22(26)28-20-13-12-16(24)15-19(20)23/h7-8,10-13,15H,2-6,9,14H2,1H3