O2-(3-fluoranyl-2-methyl-butyl) O1-phenyl 4-tetradecoxybenzene-1,2-dicarboxylate

Systemtic Name: O2-(3-fluoranyl-2-methyl-butyl) O1-phenyl 4-tetradecoxybenzene-1,2-dicarboxylate Openeye Name: O2-(3-fluoro-2-methyl-butyl) O1-phenyl 4-tetradecoxybenzene-1,2-dicarboxylate CAS Name: 4-tetradecoxybenzene-1,2-dicarboxylic acid O2-(3-fluoro-2-methylbutyl) ester O1-phenyl ester IUPAC Name: 2-O-(3-fluoro-2-methylbutyl) 1-O-phenyl 4-tetradecoxybenzene-1,2-dicarboxylate Traditional Name: 4-myristyloxybenzene-1,2-dicarboxylic acid O2-(3-fluoro-2-methyl-butyl) ester O1-phenyl ester Formula: C33H47FO5 MolecularWeight: 542.721683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H47FO5/c1-4-5-6-7-8-9-10-11-12-13-14-18-23-37-29-21-22-30(33(36)39-28-19-16-15-17-20-28)31(24-29)32(35)38-25-26(2)27(3)34/h15-17,19-22,24,26-27H,4-14,18,23,25H2,1-3H3