5-[2-(2,4-dimethylphenoxy)-1,3-bis(oxidanyl)propan-2-yl]-2-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-one

Systemtic Name: 5-[2-(2,4-dimethylphenoxy)-1,3-bis(oxidanyl)propan-2-yl]-2-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-one Openeye Name: 5-[1-(2,4-dimethylphenoxy)-2-hydroxy-1-(hydroxymethyl)ethyl]-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one CAS Name: 5-[2-(2,4-dimethylphenoxy)-1,3-dihydroxypropan-2-yl]-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one IUPAC Name: 5-[2-(2,4-dimethylphenoxy)-1,3-dihydroxypropan-2-yl]-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one Traditional Name: 5-[1-(2,4-dimethylphenoxy)-2-hydroxy-1-methylol-ethyl]-2-(2,4,6-trichlorophenyl)-2-pyrazolin-3-one Formula: C20H19Cl3N2O4 MolecularWeight: 457.73486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(CO)(CO)C2=NN(C(=O)C2)C3=C(C=C(C=C3Cl)Cl)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(CO)(CO)C2=NN(C(=O)C2)C3=C(C=C(C=C3Cl)Cl)Cl)C

InChI

InChI=1S/C20H19Cl3N2O4/c1-11-3-4-16(12(2)5-11)29-20(9-26,10-27)17-8-18(28)25(24-17)19-14(22)6-13(21)7-15(19)23/h3-7,26-27H,8-10H2,1-2H3