(2-fluoranyl-4-heptyl-phenyl) 4-(4-heptoxyphenyl)benzoate

Systemtic Name: (2-fluoranyl-4-heptyl-phenyl) 4-(4-heptoxyphenyl)benzoate Openeye Name: (2-fluoro-4-heptyl-phenyl) 4-(4-heptoxyphenyl)benzoate CAS Name: 4-(4-heptoxyphenyl)benzoic acid (2-fluoro-4-heptylphenyl) ester IUPAC Name: (2-fluoro-4-heptylphenyl) 4-(4-heptoxyphenyl)benzoate Traditional Name: 4-(4-heptoxyphenyl)benzoic acid (2-fluoro-4-heptyl-phenyl) ester Formula: C33H41FO3 MolecularWeight: 504.675243

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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

Isomeric SMILES

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

InChI

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