sodium 5-chloranyl-6-fluoranyl-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: sodium 5-chloranyl-6-fluoranyl-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: sodium 5-chloro-6-fluoro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: sodium 5-chloro-6-fluoro-3-methyl-2-(4-phenylphenyl)-4-quinolinecarboxylate IUPAC Name: sodium 5-chloro-6-fluoro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: sodium 5-chloro-6-fluoro-3-methyl-2-(4-phenylphenyl)cinchoninate Formula: C23H14ClFNNaO2 MolecularWeight: 413.803933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=C(C2=C1C(=O)[O-])Cl)F)C3=CC=C(C=C3)C4=CC=CC=C4.[Na+]

Isomeric SMILES

CC1=C(N=C2C=CC(=C(C2=C1C(=O)[O-])Cl)F)C3=CC=C(C=C3)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C23H15ClFNO2.Na/c1-13-19(23(27)28)20-18(12-11-17(25)21(20)24)26-22(13)16-9-7-15(8-10-16)14-5-3-2-4-6-14;/h2-12H,1H3,(H,27,28);/q;+1/p-1