sodium 6-fluoranyl-3-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylate

Systemtic Name: sodium 6-fluoranyl-3-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylate Openeye Name: sodium 6-fluoro-3-methyl-2-[4-(p-tolyl)phenyl]quinoline-4-carboxylate CAS Name: sodium 6-fluoro-3-methyl-2-[4-(4-methylphenyl)phenyl]-4-quinolinecarboxylate IUPAC Name: sodium 6-fluoro-3-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylate Traditional Name: sodium 6-fluoro-3-methyl-2-[4-(p-tolyl)phenyl]cinchoninate Formula: C24H17FNNaO2 MolecularWeight: 393.385453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=C4C=C(C=CC4=N3)F)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=C4C=C(C=CC4=N3)F)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C24H18FNO2.Na/c1-14-3-5-16(6-4-14)17-7-9-18(10-8-17)23-15(2)22(24(27)28)20-13-19(25)11-12-21(20)26-23;/h3-13H,1-2H3,(H,27,28);/q;+1/p-1