(4-octoxyphenyl) 2-fluoranyl-4-(4-octan-2-yloxyphenyl)benzoate

Systemtic Name: (4-octoxyphenyl) 2-fluoranyl-4-(4-octan-2-yloxyphenyl)benzoate Openeye Name: (4-octoxyphenyl) 2-fluoro-4-[4-(1-methylheptoxy)phenyl]benzoate CAS Name: 2-fluoro-4-(4-octan-2-yloxyphenyl)benzoic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 2-fluoro-4-(4-octan-2-yloxyphenyl)benzoate Traditional Name: 2-fluoro-4-[4-(1-methylheptoxy)phenyl]benzoic acid (4-octoxyphenyl) ester Formula: C35H45FO4 MolecularWeight: 548.727803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)OC(C)CCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)OC(C)CCCCCC)F

InChI

InChI=1S/C35H45FO4/c1-4-6-8-10-11-13-25-38-30-20-22-32(23-21-30)40-35(37)33-24-17-29(26-34(33)36)28-15-18-31(19-16-28)39-27(3)14-12-9-7-5-2/h15-24,26-27H,4-14,25H2,1-3H3