[4-(3-fluoranyl-4-octoxy-phenyl)phenyl] nonanoate

Systemtic Name: [4-(3-fluoranyl-4-octoxy-phenyl)phenyl] nonanoate Openeye Name: [4-(3-fluoro-4-octoxy-phenyl)phenyl] nonanoate CAS Name: nonanoic acid [4-(3-fluoro-4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(3-fluoro-4-octoxyphenyl)phenyl] nonanoate Traditional Name: pelargonic acid [4-(3-fluoro-4-octoxy-phenyl)phenyl] ester Formula: C29H41FO3 MolecularWeight: 456.632443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC(=C(C=C2)OCCCCCCCC)F

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC(=C(C=C2)OCCCCCCCC)F

InChI

InChI=1S/C29H41FO3/c1-3-5-7-9-11-13-15-29(31)33-26-19-16-24(17-20-26)25-18-21-28(27(30)23-25)32-22-14-12-10-8-6-4-2/h16-21,23H,3-15,22H2,1-2H3