4,4,4-tris(chloranyl)-2-phenyl-butane-1-sulfonoperoxoic acid

Systemtic Name: 4,4,4-tris(chloranyl)-2-phenyl-butane-1-sulfonoperoxoic acid Openeye Name: 4,4,4-trichloro-2-phenyl-butane-1-sulfonoperoxoic acid CAS Name: 4,4,4-trichloro-2-phenyl-1-butanesulfonoperoxoic acid IUPAC Name: 4,4,4-trichloro-2-phenylbutane-1-sulfonoperoxoic acid Traditional Name: 4,4,4-trichloro-2-phenyl-butane-1-sulfonoperoxoic acid Formula: C10H11Cl3O4S MolecularWeight: 333.61594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(Cl)(Cl)Cl)CS(=O)(=O)OO

Isomeric SMILES

C1=CC=C(C=C1)C(CC(Cl)(Cl)Cl)CS(=O)(=O)OO

InChI

InChI=1S/C10H11Cl3O4S/c11-10(12,13)6-9(7-18(15,16)17-14)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2