O2-(2-fluoranyl-2-methyl-butyl) O1-phenyl 4-tetradecoxybenzene-1,2-dicarboxylate

Systemtic Name: O2-(2-fluoranyl-2-methyl-butyl) O1-phenyl 4-tetradecoxybenzene-1,2-dicarboxylate Openeye Name: O2-(2-fluoro-2-methyl-butyl) O1-phenyl 4-tetradecoxybenzene-1,2-dicarboxylate CAS Name: 4-tetradecoxybenzene-1,2-dicarboxylic acid O2-(2-fluoro-2-methylbutyl) ester O1-phenyl ester IUPAC Name: 2-O-(2-fluoro-2-methylbutyl) 1-O-phenyl 4-tetradecoxybenzene-1,2-dicarboxylate Traditional Name: 4-myristyloxybenzene-1,2-dicarboxylic acid O2-(2-fluoro-2-methyl-butyl) ester O1-phenyl ester Formula: C33H47FO5 MolecularWeight: 542.721683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=CC=C2)C(=O)OCC(C)(CC)F

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=CC=C2)C(=O)OCC(C)(CC)F

InChI

InChI=1S/C33H47FO5/c1-4-6-7-8-9-10-11-12-13-14-15-19-24-37-28-22-23-29(32(36)39-27-20-17-16-18-21-27)30(25-28)31(35)38-26-33(3,34)5-2/h16-18,20-23,25H,4-15,19,24,26H2,1-3H3