4-butyl-1-phenyl-pyrazolidine-3,5-dione; 3,4,5,6-tetrakis(chloranyl)phthalic acid

Systemtic Name: 4-butyl-1-phenyl-pyrazolidine-3,5-dione; 3,4,5,6-tetrakis(chloranyl)phthalic acid Openeye Name: 4-butyl-1-phenyl-pyrazolidine-3,5-dione; 3,4,5,6-tetrachlorophthalic acid CAS Name: 4-butyl-1-phenylpyrazolidine-3,5-dione; 3,4,5,6-tetrachlorophthalic acid IUPAC Name: 4-butyl-1-phenylpyrazolidine-3,5-dione; 3,4,5,6-tetrachlorophthalic acid Traditional Name: 4-butyl-1-phenyl-pyrazolidine-3,5-quinone; 3,4,5,6-tetrachlorophthalic acid Formula: C21H18Cl4N2O6 MolecularWeight: 536.18942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)NN(C1=O)C2=CC=CC=C2.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1C(=O)NN(C1=O)C2=CC=CC=C2.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C13H16N2O2.C8H2Cl4O4/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10;9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h4-8,11H,2-3,9H2,1H3,(H,14,16);(H,13,14)(H,15,16)