sodium 2-(3,4-dimethylphenyl)quinoline-4-carboxylate

Systemtic Name: sodium 2-(3,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: sodium 2-(3,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: sodium 2-(3,4-dimethylphenyl)-4-quinolinecarboxylate IUPAC Name: sodium 2-(3,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: sodium 2-(3,4-dimethylphenyl)cinchoninate Formula: C18H14NNaO2 MolecularWeight: 299.29903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C18H15NO2.Na/c1-11-7-8-13(9-12(11)2)17-10-15(18(20)21)14-5-3-4-6-16(14)19-17;/h3-10H,1-2H3,(H,20,21);/q;+1/p-1