methyl (1R,2S,5R)-2-heptyl-1-iodanyl-4-oxidanylidene-3-oxabicyclo[3.1.0]hexane-5-carboxylate

Systemtic Name: methyl (1R,2S,5R)-2-heptyl-1-iodanyl-4-oxidanylidene-3-oxabicyclo[3.1.0]hexane-5-carboxylate Openeye Name: methyl (1R,2S,5R)-2-heptyl-1-iodo-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate CAS Name: (1R,2S,5R)-2-heptyl-1-iodo-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylic acid methyl ester IUPAC Name: methyl (1R,2S,5R)-2-heptyl-1-iodo-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate Traditional Name: (1R,2S,5R)-2-heptyl-1-iodo-4-keto-3-oxabicyclo[3.1.0]hexane-5-carboxylic acid methyl ester Formula: C14H21IO4 MolecularWeight: 380.21861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C2(CC2(C(=O)O1)C(=O)OC)I

Isomeric SMILES

CCCCCCC[C@H]1[C@]2(C[C@]2(C(=O)O1)C(=O)OC)I

InChI

InChI=1S/C14H21IO4/c1-3-4-5-6-7-8-10-14(15)9-13(14,11(16)18-2)12(17)19-10/h10H,3-9H2,1-2H3/t10-,13+,14-/m0/s1