[4-(4-heptylphenyl)phenyl] 3-fluoranyl-2-heptoxy-benzoate

Systemtic Name: [4-(4-heptylphenyl)phenyl] 3-fluoranyl-2-heptoxy-benzoate Openeye Name: [4-(4-heptylphenyl)phenyl] 3-fluoro-2-heptoxy-benzoate CAS Name: 3-fluoro-2-heptoxybenzoic acid [4-(4-heptylphenyl)phenyl] ester IUPAC Name: [4-(4-heptylphenyl)phenyl] 3-fluoro-2-heptoxybenzoate Traditional Name: 3-fluoro-2-heptoxy-benzoic acid [4-(4-heptylphenyl)phenyl] ester Formula: C33H41FO3 MolecularWeight: 504.675243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H41FO3/c1-3-5-7-9-11-14-26-17-19-27(20-18-26)28-21-23-29(24-22-28)37-33(35)30-15-13-16-31(34)32(30)36-25-12-10-8-6-4-2/h13,15-24H,3-12,14,25H2,1-2H3