2-oxidanylbutanedioic acid; 4H-quinoline-1-carboxylic acid; hydrate

Systemtic Name: 2-oxidanylbutanedioic acid; 4H-quinoline-1-carboxylic acid; hydrate Openeye Name: 2-hydroxybutanedioic acid; 4H-quinoline-1-carboxylic acid; hydrate CAS Name: 2-hydroxybutanedioic acid; 4H-quinoline-1-carboxylic acid; hydrate IUPAC Name: 2-hydroxybutanedioic acid; 4H-quinoline-1-carboxylic acid; hydrate Traditional Name: malic acid; 4H-quinoline-1-carboxylic acid; hydrate Formula: C14H17NO8 MolecularWeight: 327.28668

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CN(C2=CC=CC=C21)C(=O)O.C(C(C(=O)O)O)C(=O)O.O

Isomeric SMILES

C1C=CN(C2=CC=CC=C21)C(=O)O.C(C(C(=O)O)O)C(=O)O.O

InChI

InChI=1S/C10H9NO2.C4H6O5.H2O/c12-10(13)11-7-3-5-8-4-1-2-6-9(8)11;5-2(4(8)9)1-3(6)7;/h1-4,6-7H,5H2,(H,12,13);2,5H,1H2,(H,6,7)(H,8,9);1H2