(4-heptoxyphenyl) 3-fluoranyl-4-octoxy-benzoate

Systemtic Name: (4-heptoxyphenyl) 3-fluoranyl-4-octoxy-benzoate Openeye Name: (4-heptoxyphenyl) 3-fluoro-4-octoxy-benzoate CAS Name: 3-fluoro-4-octoxybenzoic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 3-fluoro-4-octoxybenzoate Traditional Name: 3-fluoro-4-octoxy-benzoic acid (4-heptoxyphenyl) ester Formula: C28H39FO4 MolecularWeight: 458.605263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)OCCCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)OCCCCCCC)F

InChI

InChI=1S/C28H39FO4/c1-3-5-7-9-11-13-21-32-27-19-14-23(22-26(27)29)28(30)33-25-17-15-24(16-18-25)31-20-12-10-8-6-4-2/h14-19,22H,3-13,20-21H2,1-2H3