1-[2-fluoranyl-4-(4-pentylphenyl)phenoxy]propan-2-yl hexanoate

Systemtic Name: 1-[2-fluoranyl-4-(4-pentylphenyl)phenoxy]propan-2-yl hexanoate Openeye Name: [2-[2-fluoro-4-(4-pentylphenyl)phenoxy]-1-methyl-ethyl] hexanoate CAS Name: hexanoic acid 1-[2-fluoro-4-(4-pentylphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[2-fluoro-4-(4-pentylphenyl)phenoxy]propan-2-yl hexanoate Traditional Name: hexanoic acid [2-[4-(4-amylphenyl)-2-fluoro-phenoxy]-1-methyl-ethyl] ester Formula: C26H35FO3 MolecularWeight: 414.552703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OCC(C)OC(=O)CCCCC)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OCC(C)OC(=O)CCCCC)F

InChI

InChI=1S/C26H35FO3/c1-4-6-8-10-21-12-14-22(15-13-21)23-16-17-25(24(27)18-23)29-19-20(3)30-26(28)11-9-7-5-2/h12-18,20H,4-11,19H2,1-3H3