(4-octylphenyl) 4-[3-fluoranyl-4-(6-methyloctoxy)phenyl]benzoate

Systemtic Name: (4-octylphenyl) 4-[3-fluoranyl-4-(6-methyloctoxy)phenyl]benzoate Openeye Name: (4-octylphenyl) 4-[3-fluoro-4-(6-methyloctoxy)phenyl]benzoate CAS Name: 4-[3-fluoro-4-(6-methyloctoxy)phenyl]benzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 4-[3-fluoro-4-(6-methyloctoxy)phenyl]benzoate Traditional Name: 4-[3-fluoro-4-(6-methyloctoxy)phenyl]benzoic acid (4-octylphenyl) ester Formula: C36H47FO3 MolecularWeight: 546.754983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OCCCCCC(C)CC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OCCCCCC(C)CC)F

InChI

InChI=1S/C36H47FO3/c1-4-6-7-8-9-12-15-29-16-23-33(24-17-29)40-36(38)31-20-18-30(19-21-31)32-22-25-35(34(37)27-32)39-26-13-10-11-14-28(3)5-2/h16-25,27-28H,4-15,26H2,1-3H3