[4-(4-octylphenyl)phenyl] 3-fluoranyl-4-heptoxy-benzoate

Systemtic Name: [4-(4-octylphenyl)phenyl] 3-fluoranyl-4-heptoxy-benzoate Openeye Name: [4-(4-octylphenyl)phenyl] 3-fluoro-4-heptoxy-benzoate CAS Name: 3-fluoro-4-heptoxybenzoic acid [4-(4-octylphenyl)phenyl] ester IUPAC Name: [4-(4-octylphenyl)phenyl] 3-fluoro-4-heptoxybenzoate Traditional Name: 3-fluoro-4-heptoxy-benzoic acid [4-(4-octylphenyl)phenyl] ester Formula: C34H43FO3 MolecularWeight: 518.701823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCCC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCCC)F

InChI

InChI=1S/C34H43FO3/c1-3-5-7-9-10-12-14-27-15-17-28(18-16-27)29-19-22-31(23-20-29)38-34(36)30-21-24-33(32(35)26-30)37-25-13-11-8-6-4-2/h15-24,26H,3-14,25H2,1-2H3