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

Systemtic Name: 4-(4-dodecoxy-3-fluoranyl-phenyl)benzoate Openeye Name: 4-(4-dodecoxy-3-fluoro-phenyl)benzoate CAS Name: 4-(4-dodecoxy-3-fluorophenyl)benzoate IUPAC Name: 4-(4-dodecoxy-3-fluorophenyl)benzoate Traditional Name: 4-(3-fluoro-4-lauryloxy-phenyl)benzoate Formula: C25H32FO3- MolecularWeight: 399.518183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])F

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])F

InChI

InChI=1S/C25H33FO3/c1-2-3-4-5-6-7-8-9-10-11-18-29-24-17-16-22(19-23(24)26)20-12-14-21(15-13-20)25(27)28/h12-17,19H,2-11,18H2,1H3,(H,27,28)/p-1