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

Systemtic Name: [4,4,4-tris(chloranyl)-2-oxidanyl-2-phenyl-butyl] 4-bromanylbenzenesulfonate Openeye Name: (4,4,4-trichloro-2-hydroxy-2-phenyl-butyl) 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid (4,4,4-trichloro-2-hydroxy-2-phenylbutyl) ester IUPAC Name: (4,4,4-trichloro-2-hydroxy-2-phenylbutyl) 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid (4,4,4-trichloro-2-hydroxy-2-phenyl-butyl) ester Formula: C16H14BrCl3O4S MolecularWeight: 488.60796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(Cl)(Cl)Cl)(COS(=O)(=O)C2=CC=C(C=C2)Br)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(Cl)(Cl)Cl)(COS(=O)(=O)C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C16H14BrCl3O4S/c17-13-6-8-14(9-7-13)25(22,23)24-11-15(21,10-16(18,19)20)12-4-2-1-3-5-12/h1-9,21H,10-11H2