(2-fluoranyl-4-heptyl-phenyl) 4-(3-fluoranyl-4-octoxy-phenyl)benzoate

Systemtic Name: (2-fluoranyl-4-heptyl-phenyl) 4-(3-fluoranyl-4-octoxy-phenyl)benzoate Openeye Name: (2-fluoro-4-heptyl-phenyl) 4-(3-fluoro-4-octoxy-phenyl)benzoate CAS Name: 4-(3-fluoro-4-octoxyphenyl)benzoic acid (2-fluoro-4-heptylphenyl) ester IUPAC Name: (2-fluoro-4-heptylphenyl) 4-(3-fluoro-4-octoxyphenyl)benzoate Traditional Name: 4-(3-fluoro-4-octoxy-phenyl)benzoic acid (2-fluoro-4-heptyl-phenyl) ester Formula: C34H42F2O3 MolecularWeight: 536.692286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCCCCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCCCCCC)F)F

InChI

InChI=1S/C34H42F2O3/c1-3-5-7-9-11-13-23-38-32-22-20-29(25-31(32)36)27-16-18-28(19-17-27)34(37)39-33-21-15-26(24-30(33)35)14-12-10-8-6-4-2/h15-22,24-25H,3-14,23H2,1-2H3