sodium; 2-oxidanylbenzoate; 2-phenylquinoline-4-carboxylic acid

Systemtic Name: sodium; 2-oxidanylbenzoate; 2-phenylquinoline-4-carboxylic acid Openeye Name: sodium; 2-hydroxybenzoate; 2-phenylquinoline-4-carboxylic acid CAS Name: sodium; 2-hydroxybenzoate; 2-phenyl-4-quinolinecarboxylic acid IUPAC Name: sodium; 2-hydroxybenzoate; 2-phenylquinoline-4-carboxylic acid Traditional Name: sodium; 2-phenylcinchoninic acid; salicylate Formula: C23H16NNaO5 MolecularWeight: 409.36661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO2.C7H6O3.Na/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;8-6-4-2-1-3-5(6)7(9)10;/h1-10H,(H,18,19);1-4,8H,(H,9,10);/q;;+1/p-1