sodium 2-phenylquinoline-4-carboxylate dihydrate

Systemtic Name: sodium 2-phenylquinoline-4-carboxylate dihydrate Openeye Name: sodium 2-phenylquinoline-4-carboxylate dihydrate CAS Name: sodium 2-phenyl-4-quinolinecarboxylate dihydrate IUPAC Name: sodium 2-phenylquinoline-4-carboxylate dihydrate Traditional Name: sodium 2-phenylcinchoninate dihydrate Formula: C16H14NNaO4 MolecularWeight: 307.27643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO2.Na.2H2O/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;;;/h1-10H,(H,18,19);;2*1H2/q;+1;;/p-1