O3-(2-fluoranyl-2-methyl-butyl) O1-phenyl 4-(3-fluoranyl-4-tetradecoxy-phenyl)benzene-1,3-dicarboxylate

Systemtic Name: O3-(2-fluoranyl-2-methyl-butyl) O1-phenyl 4-(3-fluoranyl-4-tetradecoxy-phenyl)benzene-1,3-dicarboxylate Openeye Name: O3-(2-fluoro-2-methyl-butyl) O1-phenyl 4-(3-fluoro-4-tetradecoxy-phenyl)benzene-1,3-dicarboxylate CAS Name: 4-(3-fluoro-4-tetradecoxyphenyl)benzene-1,3-dicarboxylic acid O3-(2-fluoro-2-methylbutyl) ester O1-phenyl ester IUPAC Name: 3-O-(2-fluoro-2-methylbutyl) 1-O-phenyl 4-(3-fluoro-4-tetradecoxyphenyl)benzene-1,3-dicarboxylate Traditional Name: 4-(3-fluoro-4-myristyloxy-phenyl)benzene-1,3-dicarboxylic acid O3-(2-fluoro-2-methyl-butyl) ester O1-phenyl ester Formula: C39H50F2O5 MolecularWeight: 636.808106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)C(=O)OCC(C)(CC)F)F

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)C(=O)OCC(C)(CC)F)F

InChI

InChI=1S/C39H50F2O5/c1-4-6-7-8-9-10-11-12-13-14-15-19-26-44-36-25-23-30(28-35(36)40)33-24-22-31(37(42)46-32-20-17-16-18-21-32)27-34(33)38(43)45-29-39(3,41)5-2/h16-18,20-25,27-28H,4-15,19,26,29H2,1-3H3