(3-fluoranyl-4-octoxy-phenyl) 4-heptoxybenzoate

Systemtic Name: (3-fluoranyl-4-octoxy-phenyl) 4-heptoxybenzoate Openeye Name: (3-fluoro-4-octoxy-phenyl) 4-heptoxybenzoate CAS Name: 4-heptoxybenzoic acid (3-fluoro-4-octoxyphenyl) ester IUPAC Name: (3-fluoro-4-octoxyphenyl) 4-heptoxybenzoate Traditional Name: 4-heptoxybenzoic acid (3-fluoro-4-octoxy-phenyl) ester Formula: C28H39FO4 MolecularWeight: 458.605263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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