2,3-bis(oxidanyl)butanedioic acid; 4-butyl-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 4-butyl-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-butyl-1-phenyl-pyrazolidine-3,5-dione; 2,3-dihydroxybutanedioic acid CAS Name: 4-butyl-1-phenylpyrazolidine-3,5-dione; 2,3-dihydroxybutanedioic acid IUPAC Name: 4-butyl-1-phenylpyrazolidine-3,5-dione; 2,3-dihydroxybutanedioic acid Traditional Name: 4-butyl-1-phenyl-pyrazolidine-3,5-quinone; tartaric acid Formula: C17H22N2O8 MolecularWeight: 382.36518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O2.C4H6O6/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10;5-1(3(7)8)2(6)4(9)10/h4-8,11H,2-3,9H2,1H3,(H,14,16);1-2,5-6H,(H,7,8)(H,9,10)