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

Systemtic Name: [4,4,4-tris(chloranyl)-2-oxidanyl-2-phenyl-butyl] 4-methylbenzenesulfonate Openeye Name: (4,4,4-trichloro-2-hydroxy-2-phenyl-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4,4,4-trichloro-2-hydroxy-2-phenylbutyl) ester IUPAC Name: (4,4,4-trichloro-2-hydroxy-2-phenylbutyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic 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:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC(Cl)(Cl)Cl)(C2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC(Cl)(Cl)Cl)(C2=CC=CC=C2)O

InChI

InChI=1S/C17H17Cl3O4S/c1-13-7-9-15(10-8-13)25(22,23)24-12-16(21,11-17(18,19)20)14-5-3-2-4-6-14/h2-10,21H,11-12H2,1H3