[2,4,6-tris(chloranyl)phenyl] 4-methyl-3-oxidanylidene-pentane-1-sulfonate

Systemtic Name: [2,4,6-tris(chloranyl)phenyl] 4-methyl-3-oxidanylidene-pentane-1-sulfonate Openeye Name: (2,4,6-trichlorophenyl) 4-methyl-3-oxo-pentane-1-sulfonate CAS Name: 4-methyl-3-oxo-1-pentanesulfonic acid IUPAC Name: (2,4,6-trichlorophenyl) 4-methyl-3-oxopentane-1-sulfonate Traditional Name: 3-keto-4-methyl-pentane-1-sulfonic acid (2,4,6-trichlorophenyl) ester Formula: C12H13Cl3O4S MolecularWeight: 359.65322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CCS(=O)(=O)OC1=C(C=C(C=C1Cl)Cl)Cl

Isomeric SMILES

CC(C)C(=O)CCS(=O)(=O)OC1=C(C=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C12H13Cl3O4S/c1-7(2)11(16)3-4-20(17,18)19-12-9(14)5-8(13)6-10(12)15/h5-7H,3-4H2,1-2H3