diethyl 2-[3,4-bis(2-methylpropyl)phenyl]-5-fluoranyl-benzene-1,4-dicarboxylate

Systemtic Name: diethyl 2-[3,4-bis(2-methylpropyl)phenyl]-5-fluoranyl-benzene-1,4-dicarboxylate Openeye Name: diethyl 2-(3,4-diisobutylphenyl)-5-fluoro-benzene-1,4-dicarboxylate CAS Name: 2-[3,4-bis(2-methylpropyl)phenyl]-5-fluorobenzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[3,4-bis(2-methylpropyl)phenyl]-5-fluorobenzene-1,4-dicarboxylate Traditional Name: 2-(3,4-diisobutylphenyl)-5-fluoro-benzene-1,4-dicarboxylic acid diethyl ester Formula: C26H33FO4 MolecularWeight: 428.536223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1C2=CC(=C(C=C2)CC(C)C)CC(C)C)C(=O)OCC)F

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1C2=CC(=C(C=C2)CC(C)C)CC(C)C)C(=O)OCC)F

InChI

InChI=1S/C26H33FO4/c1-7-30-25(28)22-15-24(27)23(26(29)31-8-2)14-21(22)19-10-9-18(11-16(3)4)20(13-19)12-17(5)6/h9-10,13-17H,7-8,11-12H2,1-6H3