methyl (E)-4-[(2S,4R,5S)-5-butyl-4-iodanyl-oxolan-2-yl]but-2-enoate

Systemtic Name: methyl (E)-4-[(2S,4R,5S)-5-butyl-4-iodanyl-oxolan-2-yl]but-2-enoate Openeye Name: methyl (E)-4-[(2S,4R,5S)-5-butyl-4-iodo-tetrahydrofuran-2-yl]but-2-enoate CAS Name: (E)-4-[(2S,4R,5S)-5-butyl-4-iodo-2-oxolanyl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[(2S,4R,5S)-5-butyl-4-iodooxolan-2-yl]but-2-enoate Traditional Name: (E)-4-[(2S,4R,5S)-5-butyl-4-iodo-tetrahydrofuran-2-yl]but-2-enoic acid methyl ester Formula: C13H21IO3 MolecularWeight: 352.20851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21IO3/c1-3-4-7-12-11(14)9-10(17-12)6-5-8-13(15)16-2/h5,8,10-12H,3-4,6-7,9H2,1-2H3/b8-5+/t10-,11+,12-/m0/s1