[4,4,4-tris(chloranyl)-2-oxidanyl-2-phenyl-butyl] 3-chloranylpropane-1-sulfonate

Systemtic Name: [4,4,4-tris(chloranyl)-2-oxidanyl-2-phenyl-butyl] 3-chloranylpropane-1-sulfonate Openeye Name: (4,4,4-trichloro-2-hydroxy-2-phenyl-butyl) 3-chloropropane-1-sulfonate CAS Name: 3-chloro-1-propanesulfonic acid IUPAC Name: (4,4,4-trichloro-2-hydroxy-2-phenylbutyl) 3-chloropropane-1-sulfonate Traditional Name: 3-chloropropane-1-sulfonic acid (4,4,4-trichloro-2-hydroxy-2-phenyl-butyl) ester Formula: C13H16Cl4O4S MolecularWeight: 410.14074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(Cl)(Cl)Cl)(COS(=O)(=O)CCCCl)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(Cl)(Cl)Cl)(COS(=O)(=O)CCCCl)O

InChI

InChI=1S/C13H16Cl4O4S/c14-7-4-8-22(19,20)21-10-12(18,9-13(15,16)17)11-5-2-1-3-6-11/h1-3,5-6,18H,4,7-10H2