2-phenylbutyl 4,4,4-tris(chloranyl)-2-oxidanyl-butane-1-sulfonate

Systemtic Name: 2-phenylbutyl 4,4,4-tris(chloranyl)-2-oxidanyl-butane-1-sulfonate Openeye Name: 2-phenylbutyl 4,4,4-trichloro-2-hydroxy-butane-1-sulfonate CAS Name: 4,4,4-trichloro-2-hydroxy-1-butanesulfonic acid IUPAC Name: 2-phenylbutyl 4,4,4-trichloro-2-hydroxybutane-1-sulfonate Traditional Name: 4,4,4-trichloro-2-hydroxy-butane-1-sulfonic acid 2-phenylbutyl ester Formula: C14H19Cl3O4S MolecularWeight: 389.72226

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COS(=O)(=O)CC(CC(Cl)(Cl)Cl)O)C1=CC=CC=C1

Isomeric SMILES

CCC(COS(=O)(=O)CC(CC(Cl)(Cl)Cl)O)C1=CC=CC=C1

InChI

InChI=1S/C14H19Cl3O4S/c1-2-11(12-6-4-3-5-7-12)9-21-22(19,20)10-13(18)8-14(15,16)17/h3-7,11,13,18H,2,8-10H2,1H3