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

Systemtic Name: [2,4,6-tris(chloranyl)phenyl] 3-oxidanylidenebutane-1-sulfonate Openeye Name: (2,4,6-trichlorophenyl) 3-oxobutane-1-sulfonate CAS Name: 3-oxo-1-butanesulfonic acid IUPAC Name: (2,4,6-trichlorophenyl) 3-oxobutane-1-sulfonate Traditional Name: 3-ketobutane-1-sulfonic acid (2,4,6-trichlorophenyl) ester Formula: C10H9Cl3O4S MolecularWeight: 331.60006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9Cl3O4S/c1-6(14)2-3-18(15,16)17-10-8(12)4-7(11)5-9(10)13/h4-5H,2-3H2,1H3