2-[4-[2-(3-fluoranyloctan-4-yloxy)phenyl]phenoxy]propyl pentanoate

Systemtic Name: 2-[4-[2-(3-fluoranyloctan-4-yloxy)phenyl]phenoxy]propyl pentanoate Openeye Name: 2-[4-[2-[1-(1-fluoropropyl)pentoxy]phenyl]phenoxy]propyl pentanoate CAS Name: pentanoic acid 2-[4-[2-(3-fluorooctan-4-yloxy)phenyl]phenoxy]propyl ester IUPAC Name: 2-[4-[2-(3-fluorooctan-4-yloxy)phenyl]phenoxy]propyl pentanoate Traditional Name: valeric acid 2-[4-[2-[1-(1-fluoropropyl)pentoxy]phenyl]phenoxy]propyl ester Formula: C28H39FO4 MolecularWeight: 458.605263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC)F)OC1=CC=CC=C1C2=CC=C(C=C2)OC(C)COC(=O)CCCC

Isomeric SMILES

CCCCC(C(CC)F)OC1=CC=CC=C1C2=CC=C(C=C2)OC(C)COC(=O)CCCC

InChI

InChI=1S/C28H39FO4/c1-5-8-13-27(25(29)7-3)33-26-14-11-10-12-24(26)22-16-18-23(19-17-22)32-21(4)20-31-28(30)15-9-6-2/h10-12,14,16-19,21,25,27H,5-9,13,15,20H2,1-4H3