1,5-dimethyl-2-phenyl-pyrazol-3-one; 2,2,2-tris(chloranyl)ethane-1,1-diol

Systemtic Name: 1,5-dimethyl-2-phenyl-pyrazol-3-one; 2,2,2-tris(chloranyl)ethane-1,1-diol Openeye Name: 1,5-dimethyl-2-phenyl-pyrazol-3-one; 2,2,2-trichloroethane-1,1-diol CAS Name: 1,5-dimethyl-2-phenyl-3-pyrazolone; 2,2,2-trichloroethane-1,1-diol IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one; 2,2,2-trichloroethane-1,1-diol Traditional Name: antipyrine; 2,2,2-trichloroethane-1,1-diol Formula: C15H18Cl6N2O5 MolecularWeight: 519.03182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1C)C2=CC=CC=C2.C(C(Cl)(Cl)Cl)(O)O.C(C(Cl)(Cl)Cl)(O)O

Isomeric SMILES

CC1=CC(=O)N(N1C)C2=CC=CC=C2.C(C(Cl)(Cl)Cl)(O)O.C(C(Cl)(Cl)Cl)(O)O

InChI

InChI=1S/C11H12N2O.2C2H3Cl3O2/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;2*3-2(4,5)1(6)7/h3-8H,1-2H3;2*1,6-7H