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

Systemtic Name: [4-(4-octylphenyl)phenyl] 3-fluoranyl-4-pentoxy-benzoate Openeye Name: [4-(4-octylphenyl)phenyl] 3-fluoro-4-pentoxy-benzoate CAS Name: 3-fluoro-4-pentoxybenzoic acid [4-(4-octylphenyl)phenyl] ester IUPAC Name: [4-(4-octylphenyl)phenyl] 3-fluoro-4-pentoxybenzoate Traditional Name: 4-amoxy-3-fluoro-benzoic acid [4-(4-octylphenyl)phenyl] ester Formula: C32H39FO3 MolecularWeight: 490.648663

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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)OCCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C32H39FO3/c1-3-5-7-8-9-10-12-25-13-15-26(16-14-25)27-17-20-29(21-18-27)36-32(34)28-19-22-31(30(33)24-28)35-23-11-6-4-2/h13-22,24H,3-12,23H2,1-2H3