octan-2-yl 4-(2-fluoranyl-4-propyl-phenyl)benzoate

Systemtic Name: octan-2-yl 4-(2-fluoranyl-4-propyl-phenyl)benzoate Openeye Name: 1-methylheptyl 4-(2-fluoro-4-propyl-phenyl)benzoate CAS Name: 4-(2-fluoro-4-propylphenyl)benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-(2-fluoro-4-propylphenyl)benzoate Traditional Name: 4-(2-fluoro-4-propyl-phenyl)benzoic acid 1-methylheptyl ester Formula: C24H31FO2 MolecularWeight: 370.500143

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)CCC)F

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)CCC)F

InChI

InChI=1S/C24H31FO2/c1-4-6-7-8-10-18(3)27-24(26)21-14-12-20(13-15-21)22-16-11-19(9-5-2)17-23(22)25/h11-18H,4-10H2,1-3H3