dimethyl (4S,5S)-4-iodanyl-5-[(2-oxidanyl-2-phenyl-ethanoyl)oxymethyl]thiolane-2,2-dicarboxylate

Systemtic Name: dimethyl (4S,5S)-4-iodanyl-5-[(2-oxidanyl-2-phenyl-ethanoyl)oxymethyl]thiolane-2,2-dicarboxylate Openeye Name: dimethyl (4S,5S)-5-[(2-hydroxy-2-phenyl-acetyl)oxymethyl]-4-iodo-tetrahydrothiophene-2,2-dicarboxylate CAS Name: (4S,5S)-5-[(2-hydroxy-1-oxo-2-phenylethoxy)methyl]-4-iodothiolane-2,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4S,5S)-5-[(2-hydroxy-2-phenylacetyl)oxymethyl]-4-iodothiolane-2,2-dicarboxylate Traditional Name: (4S,5S)-4-iodo-5-(mandeloyloxymethyl)tetrahydrothiophene-2,2-dicarboxylic acid dimethyl ester Formula: C17H19IO7S MolecularWeight: 494.29803

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(C(S1)COC(=O)C(C2=CC=CC=C2)O)I)C(=O)OC

Isomeric SMILES

COC(=O)C1(C[C@@H]([C@@H](S1)COC(=O)C(C2=CC=CC=C2)O)I)C(=O)OC

InChI

InChI=1S/C17H19IO7S/c1-23-15(21)17(16(22)24-2)8-11(18)12(26-17)9-25-14(20)13(19)10-6-4-3-5-7-10/h3-7,11-13,19H,8-9H2,1-2H3/t11-,12-,13?/m0/s1