4-butyl-1-phenyl-pyrazolidine-3,5-dione; 2-oxidanyl-4-oxidanylidene-pentane-1,2,3-tricarboxylic acid

Systemtic Name: 4-butyl-1-phenyl-pyrazolidine-3,5-dione; 2-oxidanyl-4-oxidanylidene-pentane-1,2,3-tricarboxylic acid Openeye Name: 4-butyl-1-phenyl-pyrazolidine-3,5-dione; 2-hydroxy-4-oxo-pentane-1,2,3-tricarboxylic acid CAS Name: 4-butyl-1-phenylpyrazolidine-3,5-dione; 2-hydroxy-4-oxopentane-1,2,3-tricarboxylic acid IUPAC Name: 4-butyl-1-phenylpyrazolidine-3,5-dione; 2-hydroxy-4-oxopentane-1,2,3-tricarboxylic acid Traditional Name: 4-butyl-1-phenyl-pyrazolidine-3,5-quinone; 2-hydroxy-4-keto-pentane-1,2,3-tricarboxylic acid Formula: C21H26N2O10 MolecularWeight: 466.43854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O2.C8H10O8/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10;1-3(9)5(6(12)13)8(16,7(14)15)2-4(10)11/h4-8,11H,2-3,9H2,1H3,(H,14,16);5,16H,2H2,1H3,(H,10,11)(H,12,13)(H,14,15)