dimethyl (4S,5S)-4-iodanyl-5-(prop-2-ynoyloxymethyl)thiolane-2,2-dicarboxylate

Systemtic Name: dimethyl (4S,5S)-4-iodanyl-5-(prop-2-ynoyloxymethyl)thiolane-2,2-dicarboxylate Openeye Name: dimethyl (4S,5S)-4-iodo-5-(prop-2-ynoyloxymethyl)tetrahydrothiophene-2,2-dicarboxylate CAS Name: (4S,5S)-4-iodo-5-(1-oxoprop-2-ynoxymethyl)thiolane-2,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4S,5S)-4-iodo-5-(prop-2-ynoyloxymethyl)thiolane-2,2-dicarboxylate Traditional Name: (4S,5S)-4-iodo-5-(propioloyloxymethyl)tetrahydrothiophene-2,2-dicarboxylic acid dimethyl ester Formula: C12H13IO6S MolecularWeight: 412.19749

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(C(S1)COC(=O)C#C)I)C(=O)OC

Isomeric SMILES

COC(=O)C1(C[C@@H]([C@@H](S1)COC(=O)C#C)I)C(=O)OC

InChI

InChI=1S/C12H13IO6S/c1-4-9(14)19-6-8-7(13)5-12(20-8,10(15)17-2)11(16)18-3/h1,7-8H,5-6H2,2-3H3/t7-,8-/m0/s1