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

Systemtic Name: (4-hexylphenyl) 4-(3-fluoranyl-4-octan-2-yloxy-phenyl)benzoate Openeye Name: (4-hexylphenyl) 4-[3-fluoro-4-(1-methylheptoxy)phenyl]benzoate CAS Name: 4-(3-fluoro-4-octan-2-yloxyphenyl)benzoic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 4-(3-fluoro-4-octan-2-yloxyphenyl)benzoate Traditional Name: 4-[3-fluoro-4-(1-methylheptoxy)phenyl]benzoic acid (4-hexylphenyl) ester Formula: C33H41FO3 MolecularWeight: 504.675243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OC(C)CCCCCC)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OC(C)CCCCCC)F

InChI

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