[2-fluoranyl-4-(4-undecylphenyl)phenyl] 2-methylbutanoate

Systemtic Name: [2-fluoranyl-4-(4-undecylphenyl)phenyl] 2-methylbutanoate Openeye Name: [2-fluoro-4-(4-undecylphenyl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-fluoro-4-(4-undecylphenyl)phenyl] ester IUPAC Name: [2-fluoro-4-(4-undecylphenyl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-fluoro-4-(4-undecylphenyl)phenyl] ester Formula: C28H39FO2 MolecularWeight: 426.606463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C(C)CC)F

Isomeric SMILES

CCCCCCCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C(C)CC)F

InChI

InChI=1S/C28H39FO2/c1-4-6-7-8-9-10-11-12-13-14-23-15-17-24(18-16-23)25-19-20-27(26(29)21-25)31-28(30)22(3)5-2/h15-22H,4-14H2,1-3H3