methyl 2-[(2R,6R)-6-butyl-5-iodanyl-oxan-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R,6R)-6-butyl-5-iodanyl-oxan-2-yl]ethanoate Openeye Name: methyl 2-[(2R,6R)-6-butyl-5-iodo-tetrahydropyran-2-yl]acetate CAS Name: 2-[(2R,6R)-6-butyl-5-iodo-2-oxanyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R,6R)-6-butyl-5-iodooxan-2-yl]acetate Traditional Name: 2-[(2R,6R)-6-butyl-5-iodo-tetrahydropyran-2-yl]acetic acid methyl ester Formula: C12H21IO3 MolecularWeight: 340.19781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(CCC(O1)CC(=O)OC)I

Isomeric SMILES

CCCC[C@@H]1C(CC[C@@H](O1)CC(=O)OC)I

InChI

InChI=1S/C12H21IO3/c1-3-4-5-11-10(13)7-6-9(16-11)8-12(14)15-2/h9-11H,3-8H2,1-2H3/t9-,10?,11-/m1/s1