[1,1,1-tris(chloranyl)-3-methyl-3-oxidanyl-4-oxidanylidene-4-phenyl-butan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [1,1,1-tris(chloranyl)-3-methyl-3-oxidanyl-4-oxidanylidene-4-phenyl-butan-2-yl] 4-methylbenzenesulfonate Openeye Name: [2-hydroxy-2-methyl-3-oxo-3-phenyl-1-(trichloromethyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1,1,1-trichloro-3-hydroxy-3-methyl-4-oxo-4-phenylbutan-2-yl) ester IUPAC Name: (1,1,1-trichloro-3-hydroxy-3-methyl-4-oxo-4-phenylbutan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-keto-2-methyl-3-phenyl-1-(trichloromethyl)propyl] ester Formula: C18H17Cl3O5S MolecularWeight: 451.74858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C(C)(C(=O)C2=CC=CC=C2)O)C(Cl)(Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C(C)(C(=O)C2=CC=CC=C2)O)C(Cl)(Cl)Cl

InChI

InChI=1S/C18H17Cl3O5S/c1-12-8-10-14(11-9-12)27(24,25)26-16(18(19,20)21)17(2,23)15(22)13-6-4-3-5-7-13/h3-11,16,23H,1-2H3