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

Systemtic Name: (4-hexoxyphenyl) 4-(3-fluoranyl-4-octyl-phenyl)benzoate Openeye Name: (4-hexoxyphenyl) 4-(3-fluoro-4-octyl-phenyl)benzoate CAS Name: 4-(3-fluoro-4-octylphenyl)benzoic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 4-(3-fluoro-4-octylphenyl)benzoate Traditional Name: 4-(3-fluoro-4-octyl-phenyl)benzoic acid (4-hexoxyphenyl) ester Formula: C33H41FO3 MolecularWeight: 504.675243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCC)F

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCC)F

InChI

InChI=1S/C33H41FO3/c1-3-5-7-9-10-11-13-27-16-19-29(25-32(27)34)26-14-17-28(18-15-26)33(35)37-31-22-20-30(21-23-31)36-24-12-8-6-4-2/h14-23,25H,3-13,24H2,1-2H3