[(4S,5R)-1-iodanyl-5-methyl-6-oxidanylidene-octan-4-yl] 2-iodanylethanoate

Systemtic Name: [(4S,5R)-1-iodanyl-5-methyl-6-oxidanylidene-octan-4-yl] 2-iodanylethanoate Openeye Name: [(1S,2R)-1-(3-iodopropyl)-2-methyl-3-oxo-pentyl] 2-iodoacetate CAS Name: 2-iodoacetic acid [(4S,5R)-1-iodo-5-methyl-6-oxooctan-4-yl] ester IUPAC Name: [(4S,5R)-1-iodo-5-methyl-6-oxooctan-4-yl] 2-iodoacetate Traditional Name: 2-iodoacetic acid [(1S,2R)-1-(3-iodopropyl)-3-keto-2-methyl-pentyl] ester Formula: C11H18I2O3 MolecularWeight: 452.06776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)C(CCCI)OC(=O)CI

Isomeric SMILES

CCC(=O)[C@H](C)[C@H](CCCI)OC(=O)CI

InChI

InChI=1S/C11H18I2O3/c1-3-9(14)8(2)10(5-4-6-12)16-11(15)7-13/h8,10H,3-7H2,1-2H3/t8-,10-/m0/s1