4-butyl-1-phenyl-pyrazolidine-3,5-dione; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 4-butyl-1-phenyl-pyrazolidine-3,5-dione; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 4-butyl-1-phenyl-pyrazolidine-3,5-dione; citric acid CAS Name: 4-butyl-1-phenylpyrazolidine-3,5-dione; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 4-butyl-1-phenylpyrazolidine-3,5-dione; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 4-butyl-1-phenyl-pyrazolidine-3,5-quinone; citric acid Formula: C19H24N2O9 MolecularWeight: 424.40186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)NN(C1=O)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCC1C(=O)NN(C1=O)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C13H16N2O2.C6H8O7/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-8,11H,2-3,9H2,1H3,(H,14,16);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)