(4-hexoxyphenyl) 4-(3-fluoranyl-4-pentyl-phenyl)benzoate

Systemtic Name: (4-hexoxyphenyl) 4-(3-fluoranyl-4-pentyl-phenyl)benzoate Openeye Name: (4-hexoxyphenyl) 4-(3-fluoro-4-pentyl-phenyl)benzoate CAS Name: 4-(3-fluoro-4-pentylphenyl)benzoic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 4-(3-fluoro-4-pentylphenyl)benzoate Traditional Name: 4-(4-amyl-3-fluoro-phenyl)benzoic acid (4-hexoxyphenyl) ester Formula: C30H35FO3 MolecularWeight: 462.595503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)CCCCC)F

InChI

InChI=1S/C30H35FO3/c1-3-5-7-9-21-33-27-17-19-28(20-18-27)34-30(32)25-14-11-23(12-15-25)26-16-13-24(29(31)22-26)10-8-6-4-2/h11-20,22H,3-10,21H2,1-2H3