sodium 9-fluoranyl-3-(3-methoxyphenyl)-5,6-dihydrobenzo[b][1,7]phenanthroline-7-carboxylate

Systemtic Name: sodium 9-fluoranyl-3-(3-methoxyphenyl)-5,6-dihydrobenzo[b][1,7]phenanthroline-7-carboxylate Openeye Name: sodium 9-fluoro-3-(3-methoxyphenyl)-5,6-dihydrobenzo[b][1,7]phenanthroline-7-carboxylate CAS Name: sodium 9-fluoro-3-(3-methoxyphenyl)-5,6-dihydrobenzo[b][1,7]phenanthroline-7-carboxylate IUPAC Name: sodium 9-fluoro-3-(3-methoxyphenyl)-5,6-dihydrobenzo[b][1,7]phenanthroline-7-carboxylate Traditional Name: sodium 9-fluoro-3-(3-methoxyphenyl)-5,6-dihydrobenzo[b][1,7]phenanthroline-7-carboxylate Formula: C24H16FN2NaO3 MolecularWeight: 422.383613

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=C(C=C2)C4=C(CC3)C(=C5C=C(C=CC5=N4)F)C(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=C(C=C2)C4=C(CC3)C(=C5C=C(C=CC5=N4)F)C(=O)[O-].[Na+]

InChI

InChI=1S/C24H17FN2O3.Na/c1-30-15-4-2-3-13(11-15)19-9-6-16-20(26-19)10-7-17-22(24(28)29)18-12-14(25)5-8-21(18)27-23(16)17;/h2-6,8-9,11-12H,7,10H2,1H3,(H,28,29);/q;+1/p-1