[(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 3,4,5-tris(chloranyl)pyridine-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 3,4,5-tris(chloranyl)pyridine-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3,4,5-trichloropyridine-2-carboxylate CAS Name: 3,4,5-trichloro-2-pyridinecarboxylic acid [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 3,4,5-trichloropyridine-2-carboxylate Traditional Name: 3,4,5-trichloropicolinic acid [(1S)-2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C18H16Cl3NO3 MolecularWeight: 400.68354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=NC=C(C(=C2Cl)Cl)Cl)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)[C@H](C)OC(=O)C2=NC=C(C(=C2Cl)Cl)Cl)C)C

InChI

InChI=1S/C18H16Cl3NO3/c1-8-5-10(3)12(6-9(8)2)17(23)11(4)25-18(24)16-15(21)14(20)13(19)7-22-16/h5-7,11H,1-4H3/t11-/m0/s1