(2-fluoranyl-4-octoxy-phenyl) 4-pentylbenzoate

Systemtic Name: (2-fluoranyl-4-octoxy-phenyl) 4-pentylbenzoate Openeye Name: (2-fluoro-4-octoxy-phenyl) 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid (2-fluoro-4-octoxyphenyl) ester IUPAC Name: (2-fluoro-4-octoxyphenyl) 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid (2-fluoro-4-octoxy-phenyl) ester Formula: C26H35FO3 MolecularWeight: 414.552703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35FO3/c1-3-5-7-8-9-11-19-29-23-17-18-25(24(27)20-23)30-26(28)22-15-13-21(14-16-22)12-10-6-4-2/h13-18,20H,3-12,19H2,1-2H3