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

Systemtic Name: (2-fluoranyl-4-heptyl-phenyl) 4-(3-fluoranyl-4-heptoxy-phenyl)benzoate Openeye Name: (2-fluoro-4-heptyl-phenyl) 4-(3-fluoro-4-heptoxy-phenyl)benzoate CAS Name: 4-(3-fluoro-4-heptoxyphenyl)benzoic acid (2-fluoro-4-heptylphenyl) ester IUPAC Name: (2-fluoro-4-heptylphenyl) 4-(3-fluoro-4-heptoxyphenyl)benzoate Traditional Name: 4-(3-fluoro-4-heptoxy-phenyl)benzoic acid (2-fluoro-4-heptyl-phenyl) ester Formula: C33H40F2O3 MolecularWeight: 522.665706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OCCCCCCC)F)F

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OCCCCCCC)F)F

InChI

InChI=1S/C33H40F2O3/c1-3-5-7-9-11-13-25-14-20-32(29(34)23-25)38-33(36)27-17-15-26(16-18-27)28-19-21-31(30(35)24-28)37-22-12-10-8-6-4-2/h14-21,23-24H,3-13,22H2,1-2H3