4,4,4-tris(fluoranyl)-3-iodanyl-2-methyl-1-(2-methylsulfonylphenyl)-2-oxidanyl-butan-1-one

Systemtic Name: 4,4,4-tris(fluoranyl)-3-iodanyl-2-methyl-1-(2-methylsulfonylphenyl)-2-oxidanyl-butan-1-one Openeye Name: 4,4,4-trifluoro-2-hydroxy-3-iodo-2-methyl-1-(2-methylsulfonylphenyl)butan-1-one CAS Name: 4,4,4-trifluoro-2-hydroxy-3-iodo-2-methyl-1-(2-methylsulfonylphenyl)-1-butanone IUPAC Name: 4,4,4-trifluoro-2-hydroxy-3-iodo-2-methyl-1-(2-methylsulfonylphenyl)butan-1-one Traditional Name: 4,4,4-trifluoro-2-hydroxy-3-iodo-1-(2-mesylphenyl)-2-methyl-butan-1-one Formula: C12H12F3IO4S MolecularWeight: 436.18596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(F)(F)F)I)(C(=O)C1=CC=CC=C1S(=O)(=O)C)O

Isomeric SMILES

CC(C(C(F)(F)F)I)(C(=O)C1=CC=CC=C1S(=O)(=O)C)O

InChI

InChI=1S/C12H12F3IO4S/c1-11(18,10(16)12(13,14)15)9(17)7-5-3-4-6-8(7)21(2,19)20/h3-6,10,18H,1-2H3