(4-nonoxyphenyl) 4-(3-fluoranyl-4-octyl-phenyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)CCCCCCCC)F

InChI

InChI=1S/C36H47FO3/c1-3-5-7-9-11-13-15-27-39-33-23-25-34(26-24-33)40-36(38)31-20-17-29(18-21-31)32-22-19-30(35(37)28-32)16-14-12-10-8-6-4-2/h17-26,28H,3-16,27H2,1-2H3