sodium 3-fluoranyl-4-(hexadecylamino)benzoate

Systemtic Name: sodium 3-fluoranyl-4-(hexadecylamino)benzoate Openeye Name: sodium 3-fluoro-4-(hexadecylamino)benzoate CAS Name: sodium 3-fluoro-4-(hexadecylamino)benzoate IUPAC Name: sodium 3-fluoro-4-(hexadecylamino)benzoate Traditional Name: sodium 4-(cetylamino)-3-fluoro-benzoate Formula: C23H37FNNaO2 MolecularWeight: 401.533553

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)[O-])F.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)[O-])F.[Na+]

InChI

InChI=1S/C23H38FNO2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-22-17-16-20(23(26)27)19-21(22)24;/h16-17,19,25H,2-15,18H2,1H3,(H,26,27);/q;+1/p-1