[2,4,6-tris(chloranyl)phenyl] 5-methyl-3-oxidanylidene-hexane-1-sulfonate

Systemtic Name: [2,4,6-tris(chloranyl)phenyl] 5-methyl-3-oxidanylidene-hexane-1-sulfonate Openeye Name: (2,4,6-trichlorophenyl) 5-methyl-3-oxo-hexane-1-sulfonate CAS Name: 5-methyl-3-oxo-1-hexanesulfonic acid IUPAC Name: (2,4,6-trichlorophenyl) 5-methyl-3-oxohexane-1-sulfonate Traditional Name: 3-keto-5-methyl-hexane-1-sulfonic acid (2,4,6-trichlorophenyl) ester Formula: C13H15Cl3O4S MolecularWeight: 373.6798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15Cl3O4S/c1-8(2)5-10(17)3-4-21(18,19)20-13-11(15)6-9(14)7-12(13)16/h6-8H,3-5H2,1-2H3