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

Systemtic Name: [4-(4-pentylphenyl)phenyl] 3-fluoranyl-4-hexoxy-benzoate Openeye Name: [4-(4-pentylphenyl)phenyl] 3-fluoro-4-hexoxy-benzoate CAS Name: 3-fluoro-4-hexoxybenzoic acid [4-(4-pentylphenyl)phenyl] ester IUPAC Name: [4-(4-pentylphenyl)phenyl] 3-fluoro-4-hexoxybenzoate Traditional Name: 3-fluoro-4-hexoxy-benzoic acid [4-(4-amylphenyl)phenyl] ester Formula: C30H35FO3 MolecularWeight: 462.595503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCCCC)F

InChI

InChI=1S/C30H35FO3/c1-3-5-7-9-21-33-29-20-17-26(22-28(29)31)30(32)34-27-18-15-25(16-19-27)24-13-11-23(12-14-24)10-8-6-4-2/h11-20,22H,3-10,21H2,1-2H3