[4-(4-octylphenyl)phenyl] 3-fluoranyl-4-octoxy-benzoate

Systemtic Name: [4-(4-octylphenyl)phenyl] 3-fluoranyl-4-octoxy-benzoate Openeye Name: [4-(4-octylphenyl)phenyl] 3-fluoro-4-octoxy-benzoate CAS Name: 3-fluoro-4-octoxybenzoic acid [4-(4-octylphenyl)phenyl] ester IUPAC Name: [4-(4-octylphenyl)phenyl] 3-fluoro-4-octoxybenzoate Traditional Name: 3-fluoro-4-octoxy-benzoic acid [4-(4-octylphenyl)phenyl] ester Formula: C35H45FO3 MolecularWeight: 532.728403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H45FO3/c1-3-5-7-9-11-13-15-28-16-18-29(19-17-28)30-20-23-32(24-21-30)39-35(37)31-22-25-34(33(36)27-31)38-26-14-12-10-8-6-4-2/h16-25,27H,3-15,26H2,1-2H3