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

Systemtic Name: [4-(4-pentylphenyl)phenyl] 3-fluoranyl-4-heptoxy-benzoate Openeye Name: [4-(4-pentylphenyl)phenyl] 3-fluoro-4-heptoxy-benzoate CAS Name: 3-fluoro-4-heptoxybenzoic acid [4-(4-pentylphenyl)phenyl] ester IUPAC Name: [4-(4-pentylphenyl)phenyl] 3-fluoro-4-heptoxybenzoate Traditional Name: 3-fluoro-4-heptoxy-benzoic acid [4-(4-amylphenyl)phenyl] ester Formula: C31H37FO3 MolecularWeight: 476.622083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCCCC)F

InChI

InChI=1S/C31H37FO3/c1-3-5-7-8-10-22-34-30-21-18-27(23-29(30)32)31(33)35-28-19-16-26(17-20-28)25-14-12-24(13-15-25)11-9-6-4-2/h12-21,23H,3-11,22H2,1-2H3