sodium 9-fluoranyl-3-phenyl-5H-isothiochromeno[4,3-b]quinoline-7-carboxylate

Systemtic Name: sodium 9-fluoranyl-3-phenyl-5H-isothiochromeno[4,3-b]quinoline-7-carboxylate Openeye Name: sodium 9-fluoro-3-phenyl-5H-isothiochromeno[4,3-b]quinoline-7-carboxylate CAS Name: sodium 9-fluoro-3-phenyl-5H-isothiochromeno[4,3-b]quinoline-7-carboxylate IUPAC Name: sodium 9-fluoro-3-phenyl-5H-isothiochromeno[4,3-b]quinoline-7-carboxylate Traditional Name: sodium 9-fluoro-3-phenyl-5H-isothiochromeno[4,3-b]quinoline-7-carboxylate Formula: C23H13FNNaO2S MolecularWeight: 409.407993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C3=CC=CC=C3)C4=C(S1)C(=C5C=C(C=CC5=N4)F)C(=O)[O-].[Na+]

Isomeric SMILES

C1C2=C(C=CC(=C2)C3=CC=CC=C3)C4=C(S1)C(=C5C=C(C=CC5=N4)F)C(=O)[O-].[Na+]

InChI

InChI=1S/C23H14FNO2S.Na/c24-16-7-9-19-18(11-16)20(23(26)27)22-21(25-19)17-8-6-14(10-15(17)12-28-22)13-4-2-1-3-5-13;/h1-11H,12H2,(H,26,27);/q;+1/p-1