2-[2-fluoranyl-4-(4-octoxyphenyl)phenoxy]propyl 4-methylhexanoate

Systemtic Name: 2-[2-fluoranyl-4-(4-octoxyphenyl)phenoxy]propyl 4-methylhexanoate Openeye Name: 2-[2-fluoro-4-(4-octoxyphenyl)phenoxy]propyl 4-methylhexanoate CAS Name: 4-methylhexanoic acid 2-[2-fluoro-4-(4-octoxyphenyl)phenoxy]propyl ester IUPAC Name: 2-[2-fluoro-4-(4-octoxyphenyl)phenoxy]propyl 4-methylhexanoate Traditional Name: 4-methylhexanoic acid 2-[2-fluoro-4-(4-octoxyphenyl)phenoxy]propyl ester Formula: C30H43FO4 MolecularWeight: 486.658423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(C)COC(=O)CCC(C)CC)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(C)COC(=O)CCC(C)CC)F

InChI

InChI=1S/C30H43FO4/c1-5-7-8-9-10-11-20-33-27-16-13-25(14-17-27)26-15-18-29(28(31)21-26)35-24(4)22-34-30(32)19-12-23(3)6-2/h13-18,21,23-24H,5-12,19-20,22H2,1-4H3