(3-fluoranyl-4-heptyl-phenyl) 4-octylbenzoate

Systemtic Name: (3-fluoranyl-4-heptyl-phenyl) 4-octylbenzoate Openeye Name: (3-fluoro-4-heptyl-phenyl) 4-octylbenzoate CAS Name: 4-octylbenzoic acid (3-fluoro-4-heptylphenyl) ester IUPAC Name: (3-fluoro-4-heptylphenyl) 4-octylbenzoate Traditional Name: 4-octylbenzoic acid (3-fluoro-4-heptyl-phenyl) ester Formula: C28H39FO2 MolecularWeight: 426.606463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)CCCCCCC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)CCCCCCC)F

InChI

InChI=1S/C28H39FO2/c1-3-5-7-9-11-12-14-23-16-18-25(19-17-23)28(30)31-26-21-20-24(27(29)22-26)15-13-10-8-6-4-2/h16-22H,3-15H2,1-2H3