[4,4,4-tris(chloranyl)-2-oxidanyl-butyl] 2-phenylpropane-2-sulfonate

Systemtic Name: [4,4,4-tris(chloranyl)-2-oxidanyl-butyl] 2-phenylpropane-2-sulfonate Openeye Name: (4,4,4-trichloro-2-hydroxy-butyl) 2-phenylpropane-2-sulfonate CAS Name: 2-phenyl-2-propanesulfonic acid IUPAC Name: (4,4,4-trichloro-2-hydroxybutyl) 2-phenylpropane-2-sulfonate Traditional Name: 2-phenylpropane-2-sulfonic acid (4,4,4-trichloro-2-hydroxy-butyl) ester Formula: C13H17Cl3O4S MolecularWeight: 375.69568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)S(=O)(=O)OCC(CC(Cl)(Cl)Cl)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)S(=O)(=O)OCC(CC(Cl)(Cl)Cl)O

InChI

InChI=1S/C13H17Cl3O4S/c1-12(2,10-6-4-3-5-7-10)21(18,19)20-9-11(17)8-13(14,15)16/h3-7,11,17H,8-9H2,1-2H3