tricopper; 2-oxidanylpropane-1,2,3-tricarboxylate; quinoline-8-carboxylic acid; quinolin-8-ol

Systemtic Name: tricopper; 2-oxidanylpropane-1,2,3-tricarboxylate; quinoline-8-carboxylic acid; quinolin-8-ol Openeye Name: tricopper; quinoline-8-carboxylic acid; quinolin-8-ol; dicitrate CAS Name: tricopper; 2-hydroxypropane-1,2,3-tricarboxylate; 8-quinolinecarboxylic acid; 8-quinolinol IUPAC Name: tricopper; 2-hydroxypropane-1,2,3-tricarboxylate; quinoline-8-carboxylic acid; quinolin-8-ol Traditional Name: tricupric; oxine; quinoline-8-carboxylic acid; dicitrate Formula: C31H24Cu3N2O17 MolecularWeight: 887.16346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(=O)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Cu+2].[Cu+2].[Cu+2]

Isomeric SMILES

C1=CC2=C(C(=C1)C(=O)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Cu+2].[Cu+2].[Cu+2]

InChI

InChI=1S/C10H7NO2.C9H7NO.2C6H8O7.3Cu/c12-10(13)8-5-1-3-7-4-2-6-11-9(7)8;11-8-5-1-3-7-4-2-6-10-9(7)8;2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h1-6H,(H,12,13);1-6,11H;2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;;;3*+2/p-6