butyl 2-iodanyl-2-methyl-3-(4-methylphenyl)sulfonyl-propanoate

Systemtic Name: butyl 2-iodanyl-2-methyl-3-(4-methylphenyl)sulfonyl-propanoate Openeye Name: butyl 2-iodo-2-methyl-3-(p-tolylsulfonyl)propanoate CAS Name: 2-iodo-2-methyl-3-(4-methylphenyl)sulfonylpropanoic acid butyl ester IUPAC Name: butyl 2-iodo-2-methyl-3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 2-iodo-2-methyl-3-tosyl-propionic acid butyl ester Formula: C15H21IO4S MolecularWeight: 424.29431

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)(CS(=O)(=O)C1=CC=C(C=C1)C)I

Isomeric SMILES

CCCCOC(=O)C(C)(CS(=O)(=O)C1=CC=C(C=C1)C)I

InChI

InChI=1S/C15H21IO4S/c1-4-5-10-20-14(17)15(3,16)11-21(18,19)13-8-6-12(2)7-9-13/h6-9H,4-5,10-11H2,1-3H3