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

Systemtic Name: O2-(2-bromanyl-4-fluoranyl-phenyl) O1-(4-methylpentyl) benzene-1,2-dicarboxylate Openeye Name: O2-(2-bromo-4-fluoro-phenyl) O1-isohexyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-(2-bromo-4-fluorophenyl) ester O1-(4-methylpentyl) ester IUPAC Name: 2-O-(2-bromo-4-fluorophenyl) 1-O-(4-methylpentyl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-(2-bromo-4-fluoro-phenyl) ester O1-isohexyl ester Formula: C20H20BrFO4 MolecularWeight: 423.272803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrFO4/c1-13(2)6-5-11-25-19(23)15-7-3-4-8-16(15)20(24)26-18-10-9-14(22)12-17(18)21/h3-4,7-10,12-13H,5-6,11H2,1-2H3