4-(3-fluoranyl-4-tetradecoxy-phenyl)benzoate

Systemtic Name: 4-(3-fluoranyl-4-tetradecoxy-phenyl)benzoate Openeye Name: 4-(3-fluoro-4-tetradecoxy-phenyl)benzoate CAS Name: 4-(3-fluoro-4-tetradecoxyphenyl)benzoate IUPAC Name: 4-(3-fluoro-4-tetradecoxyphenyl)benzoate Traditional Name: 4-(3-fluoro-4-myristyloxy-phenyl)benzoate Formula: C27H36FO3- MolecularWeight: 427.571343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])F

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])F

InChI

InChI=1S/C27H37FO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-31-26-19-18-24(21-25(26)28)22-14-16-23(17-15-22)27(29)30/h14-19,21H,2-13,20H2,1H3,(H,29,30)/p-1