[(2S,3S,4R)-1-iodanyl-2,4-dimethyl-heptan-3-yl] propanoate

Systemtic Name: [(2S,3S,4R)-1-iodanyl-2,4-dimethyl-heptan-3-yl] propanoate Openeye Name: [(1S,2R)-1-[(1S)-2-iodo-1-methyl-ethyl]-2-methyl-pentyl] propanoate CAS Name: propanoic acid [(2S,3S,4R)-1-iodo-2,4-dimethylheptan-3-yl] ester IUPAC Name: [(2S,3S,4R)-1-iodo-2,4-dimethylheptan-3-yl] propanoate Traditional Name: propionic acid [(1S,2R)-1-[(1S)-2-iodo-1-methyl-ethyl]-2-methyl-pentyl] ester Formula: C12H23IO2 MolecularWeight: 326.21429

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C(C)CI)OC(=O)CC

Isomeric SMILES

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

InChI

InChI=1S/C12H23IO2/c1-5-7-9(3)12(10(4)8-13)15-11(14)6-2/h9-10,12H,5-8H2,1-4H3/t9-,10-,12+/m1/s1