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

Systemtic Name: [4,4,4-tris(chloranyl)-2-oxidanyl-2-phenyl-butyl] 4-nitrobenzenesulfonate Openeye Name: (4,4,4-trichloro-2-hydroxy-2-phenyl-butyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (4,4,4-trichloro-2-hydroxy-2-phenylbutyl) ester IUPAC Name: (4,4,4-trichloro-2-hydroxy-2-phenylbutyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (4,4,4-trichloro-2-hydroxy-2-phenyl-butyl) ester Formula: C16H14Cl3NO6S MolecularWeight: 454.70946

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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)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(Cl)(Cl)Cl)(COS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H14Cl3NO6S/c17-16(18,19)10-15(21,12-4-2-1-3-5-12)11-26-27(24,25)14-8-6-13(7-9-14)20(22)23/h1-9,21H,10-11H2