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

Systemtic Name: [4,4,4-tris(chloranyl)-2-oxidanyl-2-phenyl-butyl] phenylmethanesulfonate Openeye Name: (4,4,4-trichloro-2-hydroxy-2-phenyl-butyl) phenylmethanesulfonate CAS Name: phenylmethanesulfonic acid (4,4,4-trichloro-2-hydroxy-2-phenylbutyl) ester IUPAC Name: (4,4,4-trichloro-2-hydroxy-2-phenylbutyl) phenylmethanesulfonate Traditional Name: phenylmethanesulfonic acid (4,4,4-trichloro-2-hydroxy-2-phenyl-butyl) ester Formula: C17H17Cl3O4S MolecularWeight: 423.73848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)OCC(CC(Cl)(Cl)Cl)(C2=CC=CC=C2)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)OCC(CC(Cl)(Cl)Cl)(C2=CC=CC=C2)O

InChI

InChI=1S/C17H17Cl3O4S/c18-17(19,20)12-16(21,15-9-5-2-6-10-15)13-24-25(22,23)11-14-7-3-1-4-8-14/h1-10,21H,11-13H2