4-butyl-1-phenyl-pyrazolidine-3,5-dione; titanium; tetrahydrate

Systemtic Name: 4-butyl-1-phenyl-pyrazolidine-3,5-dione; titanium; tetrahydrate Openeye Name: 4-butyl-1-phenyl-pyrazolidine-3,5-dione; titanium; tetrahydrate CAS Name: 4-butyl-1-phenylpyrazolidine-3,5-dione; titanium; tetrahydrate IUPAC Name: 4-butyl-1-phenylpyrazolidine-3,5-dione; titanium; tetrahydrate Traditional Name: 4-butyl-1-phenyl-pyrazolidine-3,5-quinone; titanium; tetrahydrate Formula: C13H24N2O6Ti MolecularWeight: 352.20646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O2.4H2O.Ti/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10;;;;;/h4-8,11H,2-3,9H2,1H3,(H,14,16);4*1H2;