4-butyl-1-phenyl-pyrazolidine-3,5-dione; ethanoic acid; oxygen(2-)

Systemtic Name: 4-butyl-1-phenyl-pyrazolidine-3,5-dione; ethanoic acid; oxygen(2-) Openeye Name: acetic acid; 4-butyl-1-phenyl-pyrazolidine-3,5-dione; oxygen(2-) CAS Name: acetic acid; 4-butyl-1-phenylpyrazolidine-3,5-dione; oxygen(2-) IUPAC Name: acetic acid; 4-butyl-1-phenylpyrazolidine-3,5-dione; oxygen(2-) Traditional Name: acetic acid; 4-butyl-1-phenyl-pyrazolidine-3,5-quinone; oxygen(2-) Formula: C15H20N2O5-2 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)NN(C1=O)C2=CC=CC=C2.CC(=O)O.[O-2]

Isomeric SMILES

CCCCC1C(=O)NN(C1=O)C2=CC=CC=C2.CC(=O)O.[O-2]

InChI

InChI=1S/C13H16N2O2.C2H4O2.O/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10;1-2(3)4;/h4-8,11H,2-3,9H2,1H3,(H,14,16);1H3,(H,3,4);/q;;-2