octyl 3-(2-fluoranyl-4-pentyl-phenyl)-4-phenyl-benzoate

Systemtic Name: octyl 3-(2-fluoranyl-4-pentyl-phenyl)-4-phenyl-benzoate Openeye Name: octyl 3-(2-fluoro-4-pentyl-phenyl)-4-phenyl-benzoate CAS Name: 3-(2-fluoro-4-pentylphenyl)-4-phenylbenzoic acid octyl ester IUPAC Name: octyl 3-(2-fluoro-4-pentylphenyl)-4-phenylbenzoate Traditional Name: 3-(4-amyl-2-fluoro-phenyl)-4-phenyl-benzoic acid octyl ester Formula: C32H39FO2 MolecularWeight: 474.649263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)C3=C(C=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)C3=C(C=C(C=C3)CCCCC)F

InChI

InChI=1S/C32H39FO2/c1-3-5-7-8-9-14-22-35-32(34)27-19-21-28(26-16-12-10-13-17-26)30(24-27)29-20-18-25(23-31(29)33)15-11-6-4-2/h10,12-13,16-21,23-24H,3-9,11,14-15,22H2,1-2H3