methyl (2S,3S)-2-iodanyl-3-oxidanyl-octanoate

Systemtic Name: methyl (2S,3S)-2-iodanyl-3-oxidanyl-octanoate Openeye Name: methyl (2S,3S)-3-hydroxy-2-iodo-octanoate CAS Name: (2S,3S)-3-hydroxy-2-iodooctanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-hydroxy-2-iodooctanoate Traditional Name: (2S,3S)-3-hydroxy-2-iodo-caprylic acid methyl ester Formula: C9H17IO3 MolecularWeight: 300.13395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C(=O)OC)I)O

Isomeric SMILES

CCCCC[C@@H]([C@@H](C(=O)OC)I)O

InChI

InChI=1S/C9H17IO3/c1-3-4-5-6-7(11)8(10)9(12)13-2/h7-8,11H,3-6H2,1-2H3/t7-,8-/m0/s1