(4-hexylphenyl) 5-(2-fluoranylhexadecoxy)-2-phenyl-benzoate

Systemtic Name: (4-hexylphenyl) 5-(2-fluoranylhexadecoxy)-2-phenyl-benzoate Openeye Name: (4-hexylphenyl) 5-(2-fluorohexadecoxy)-2-phenyl-benzoate CAS Name: 5-(2-fluorohexadecoxy)-2-phenylbenzoic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 5-(2-fluorohexadecoxy)-2-phenylbenzoate Traditional Name: 5-(2-fluorohexadecoxy)-2-phenyl-benzoic acid (4-hexylphenyl) ester Formula: C41H57FO3 MolecularWeight: 616.887883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(COC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)CCCCCC)F

Isomeric SMILES

CCCCCCCCCCCCCCC(COC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)CCCCCC)F

InChI

InChI=1S/C41H57FO3/c1-3-5-7-9-10-11-12-13-14-15-16-21-25-36(42)33-44-38-30-31-39(35-23-19-17-20-24-35)40(32-38)41(43)45-37-28-26-34(27-29-37)22-18-8-6-4-2/h17,19-20,23-24,26-32,36H,3-16,18,21-22,25,33H2,1-2H3