[2,4,6-tris(chloranyl)phenyl] 3-oxidanylidenehexane-1-sulfonate

Systemtic Name: [2,4,6-tris(chloranyl)phenyl] 3-oxidanylidenehexane-1-sulfonate Openeye Name: (2,4,6-trichlorophenyl) 3-oxohexane-1-sulfonate CAS Name: 3-oxo-1-hexanesulfonic acid IUPAC Name: (2,4,6-trichlorophenyl) 3-oxohexane-1-sulfonate Traditional Name: 3-ketohexane-1-sulfonic acid (2,4,6-trichlorophenyl) ester Formula: C12H13Cl3O4S MolecularWeight: 359.65322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13Cl3O4S/c1-2-3-9(16)4-5-20(17,18)19-12-10(14)6-8(13)7-11(12)15/h6-7H,2-5H2,1H3