4-butyl-1-phenyl-pyrazolidine-3,5-dione; phosphoric acid

Systemtic Name: 4-butyl-1-phenyl-pyrazolidine-3,5-dione; phosphoric acid Openeye Name: 4-butyl-1-phenyl-pyrazolidine-3,5-dione; phosphoric acid CAS Name: 4-butyl-1-phenylpyrazolidine-3,5-dione; phosphoric acid IUPAC Name: 4-butyl-1-phenylpyrazolidine-3,5-dione; phosphoric acid Traditional Name: 4-butyl-1-phenyl-pyrazolidine-3,5-quinone; phosphoric acid Formula: C13H22N2O10P2 MolecularWeight: 428.268702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O2.2H3O4P/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10;2*1-5(2,3)4/h4-8,11H,2-3,9H2,1H3,(H,14,16);2*(H3,1,2,3,4)