(4-octylphenyl) 4-(3-fluoranyl-4-octan-2-yloxy-phenyl)benzoate

Systemtic Name: (4-octylphenyl) 4-(3-fluoranyl-4-octan-2-yloxy-phenyl)benzoate Openeye Name: (4-octylphenyl) 4-[3-fluoro-4-(1-methylheptoxy)phenyl]benzoate CAS Name: 4-(3-fluoro-4-octan-2-yloxyphenyl)benzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 4-(3-fluoro-4-octan-2-yloxyphenyl)benzoate Traditional Name: 4-[3-fluoro-4-(1-methylheptoxy)phenyl]benzoic acid (4-octylphenyl) ester Formula: C35H45FO3 MolecularWeight: 532.728403

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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)OC(C)CCCCCC)F

Isomeric SMILES

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

InChI

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