O1-ethyl O3-[(2R,3S)-1-iodanyl-2-methyl-octan-3-yl] propanedioate

Systemtic Name: O1-ethyl O3-[(2R,3S)-1-iodanyl-2-methyl-octan-3-yl] propanedioate Openeye Name: O1-ethyl O3-[(1S)-1-[(1R)-2-iodo-1-methyl-ethyl]hexyl] propanedioate CAS Name: propanedioic acid O1-ethyl ester O3-[(2R,3S)-1-iodo-2-methyloctan-3-yl] ester IUPAC Name: 1-O-ethyl 3-O-[(2R,3S)-1-iodo-2-methyloctan-3-yl] propanedioate Traditional Name: malonic acid O1-ethyl ester O3-[(1S)-1-[(1R)-2-iodo-1-methyl-ethyl]hexyl] ester Formula: C14H25IO4 MolecularWeight: 384.25037

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)CI)OC(=O)CC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C14H25IO4/c1-4-6-7-8-12(11(3)10-15)19-14(17)9-13(16)18-5-2/h11-12H,4-10H2,1-3H3/t11-,12-/m0/s1