1,5-dimethyl-2-phenyl-4-[(1R)-2,2,2-tris(chloranyl)-1-oxidanyl-ethyl]pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[(1R)-2,2,2-tris(chloranyl)-1-oxidanyl-ethyl]pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-[(1R)-2,2,2-trichloro-1-hydroxy-ethyl]pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[(1R)-2,2,2-trichloro-1-hydroxyethyl]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-[(1R)-2,2,2-trichloro-1-hydroxyethyl]pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-[(1R)-2,2,2-trichloro-1-hydroxy-ethyl]-3-pyrazolin-3-one Formula: C13H13Cl3N2O2 MolecularWeight: 335.61352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[C@H](C(Cl)(Cl)Cl)O

InChI

InChI=1S/C13H13Cl3N2O2/c1-8-10(11(19)13(14,15)16)12(20)18(17(8)2)9-6-4-3-5-7-9/h3-7,11,19H,1-2H3/t11-/m1/s1