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

Systemtic Name: sodium 5-chloranyl-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: sodium 5-chloro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: sodium 5-chloro-3-methyl-2-(4-phenylphenyl)-4-quinolinecarboxylate IUPAC Name: sodium 5-chloro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: sodium 5-chloro-3-methyl-2-(4-phenylphenyl)cinchoninate Formula: C23H15ClNNaO2 MolecularWeight: 395.81347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16ClNO2.Na/c1-14-20(23(26)27)21-18(24)8-5-9-19(21)25-22(14)17-12-10-16(11-13-17)15-6-3-2-4-7-15;/h2-13H,1H3,(H,26,27);/q;+1/p-1