octan-2-yl 4-[2-fluoranyl-4-(4-pentylphenyl)phenyl]benzoate

Systemtic Name: octan-2-yl 4-[2-fluoranyl-4-(4-pentylphenyl)phenyl]benzoate Openeye Name: 1-methylheptyl 4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzoate CAS Name: 4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzoate Traditional Name: 4-[4-(4-amylphenyl)-2-fluoro-phenyl]benzoic acid 1-methylheptyl ester Formula: C32H39FO2 MolecularWeight: 474.649263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)CCCCC)F

InChI

InChI=1S/C32H39FO2/c1-4-6-8-10-11-24(3)35-32(34)28-19-17-27(18-20-28)30-22-21-29(23-31(30)33)26-15-13-25(14-16-26)12-9-7-5-2/h13-24H,4-12H2,1-3H3