1-[4-(3-fluoranyl-4-octoxy-phenyl)phenyl]-6-methyl-octan-1-one

Systemtic Name: 1-[4-(3-fluoranyl-4-octoxy-phenyl)phenyl]-6-methyl-octan-1-one Openeye Name: 1-[4-(3-fluoro-4-octoxy-phenyl)phenyl]-6-methyl-octan-1-one CAS Name: 1-[4-(3-fluoro-4-octoxyphenyl)phenyl]-6-methyl-1-octanone IUPAC Name: 1-[4-(3-fluoro-4-octoxyphenyl)phenyl]-6-methyloctan-1-one Traditional Name: 1-[4-(3-fluoro-4-octoxy-phenyl)phenyl]-6-methyl-octan-1-one Formula: C29H41FO2 MolecularWeight: 440.633043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)CCCCC(C)CC)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)CCCCC(C)CC)F

InChI

InChI=1S/C29H41FO2/c1-4-6-7-8-9-12-21-32-29-20-19-26(22-27(29)30)24-15-17-25(18-16-24)28(31)14-11-10-13-23(3)5-2/h15-20,22-23H,4-14,21H2,1-3H3