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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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