methyl 3-iodanyl-4-(4-methylphenyl)sulfonyl-butanoate

Systemtic Name: methyl 3-iodanyl-4-(4-methylphenyl)sulfonyl-butanoate Openeye Name: methyl 3-iodo-4-(p-tolylsulfonyl)butanoate CAS Name: 3-iodo-4-(4-methylphenyl)sulfonylbutanoic acid methyl ester IUPAC Name: methyl 3-iodo-4-(4-methylphenyl)sulfonylbutanoate Traditional Name: 3-iodo-4-tosyl-butyric acid methyl ester Formula: C12H15IO4S MolecularWeight: 382.21457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(CC(=O)OC)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(CC(=O)OC)I

InChI

InChI=1S/C12H15IO4S/c1-9-3-5-11(6-4-9)18(15,16)8-10(13)7-12(14)17-2/h3-6,10H,7-8H2,1-2H3