ethyl (3R,4S)-5-iodanyl-4-methyl-6-methylsulfonyloxy-2-oxidanylidene-3,4-dihydrochromene-3-carboxylate

Systemtic Name: ethyl (3R,4S)-5-iodanyl-4-methyl-6-methylsulfonyloxy-2-oxidanylidene-3,4-dihydrochromene-3-carboxylate Openeye Name: ethyl (3R,4S)-5-iodo-4-methyl-6-methylsulfonyloxy-2-oxo-chromane-3-carboxylate CAS Name: (3R,4S)-5-iodo-4-methyl-6-methylsulfonyloxy-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S)-5-iodo-4-methyl-6-methylsulfonyloxy-2-oxo-3,4-dihydrochromene-3-carboxylate Traditional Name: (3R,4S)-5-iodo-2-keto-4-methyl-6-methylsulfonyloxy-chroman-3-carboxylic acid ethyl ester Formula: C14H15IO7S MolecularWeight: 454.23417

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(C=CC(=C2I)OS(=O)(=O)C)OC1=O)C

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](C2=C(C=CC(=C2I)OS(=O)(=O)C)OC1=O)C

InChI

InChI=1S/C14H15IO7S/c1-4-20-13(16)11-7(2)10-8(21-14(11)17)5-6-9(12(10)15)22-23(3,18)19/h5-7,11H,4H2,1-3H3/t7-,11-/m1/s1