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

Systemtic Name: (3-fluoranyl-4-octoxy-phenyl) 4-hexoxybenzoate Openeye Name: (3-fluoro-4-octoxy-phenyl) 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid (3-fluoro-4-octoxyphenyl) ester IUPAC Name: (3-fluoro-4-octoxyphenyl) 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid (3-fluoro-4-octoxy-phenyl) ester Formula: C27H37FO4 MolecularWeight: 444.578683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37FO4/c1-3-5-7-9-10-12-20-31-26-18-17-24(21-25(26)28)32-27(29)22-13-15-23(16-14-22)30-19-11-8-6-4-2/h13-18,21H,3-12,19-20H2,1-2H3