(2-hexylphenyl) 4-[4-(2-fluoranylhexadecoxy)phenyl]benzoate

Systemtic Name: (2-hexylphenyl) 4-[4-(2-fluoranylhexadecoxy)phenyl]benzoate Openeye Name: (2-hexylphenyl) 4-[4-(2-fluorohexadecoxy)phenyl]benzoate CAS Name: 4-[4-(2-fluorohexadecoxy)phenyl]benzoic acid (2-hexylphenyl) ester IUPAC Name: (2-hexylphenyl) 4-[4-(2-fluorohexadecoxy)phenyl]benzoate Traditional Name: 4-[4-(2-fluorohexadecoxy)phenyl]benzoic acid (2-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=C(C=C2)C(=O)OC3=CC=CC=C3CCCCCC)F

Isomeric SMILES

CCCCCCCCCCCCCCC(COC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3CCCCCC)F

InChI

InChI=1S/C41H57FO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-23-38(42)33-44-39-31-29-35(30-32-39)34-25-27-37(28-26-34)41(43)45-40-24-20-19-22-36(40)21-17-8-6-4-2/h19-20,22,24-32,38H,3-18,21,23,33H2,1-2H3