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

Systemtic Name: O3-(3-fluoranyl-2-methyl-butyl) O1-phenyl 4-(4-hexadecoxyphenyl)benzene-1,3-dicarboxylate Openeye Name: O3-(3-fluoro-2-methyl-butyl) O1-phenyl 4-(4-hexadecoxyphenyl)benzene-1,3-dicarboxylate CAS Name: 4-(4-hexadecoxyphenyl)benzene-1,3-dicarboxylic acid O3-(3-fluoro-2-methylbutyl) ester O1-phenyl ester IUPAC Name: 3-O-(3-fluoro-2-methylbutyl) 1-O-phenyl 4-(4-hexadecoxyphenyl)benzene-1,3-dicarboxylate Traditional Name: 4-(4-cetyloxyphenyl)benzene-1,3-dicarboxylic acid O3-(3-fluoro-2-methyl-butyl) ester O1-phenyl ester Formula: C41H55FO5 MolecularWeight: 646.870803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)C(=O)OCC(C)C(C)F

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)C(=O)OCC(C)C(C)F

InChI

InChI=1S/C41H55FO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29-45-36-26-23-34(24-27-36)38-28-25-35(40(43)47-37-21-18-17-19-22-37)30-39(38)41(44)46-31-32(2)33(3)42/h17-19,21-28,30,32-33H,4-16,20,29,31H2,1-3H3