[(2R,3S,4S,5S,6S)-3,4-diacetyloxy-5-iodanyl-6-isothiocyanato-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4S,5S,6S)-3,4-diacetyloxy-5-iodanyl-6-isothiocyanato-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4S,5S,6S)-3,4-diacetoxy-5-iodo-6-isothiocyanato-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4S,5S,6S)-3,4-diacetyloxy-5-iodo-6-isothiocyanato-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5S,6S)-3,4-diacetyloxy-5-iodo-6-isothiocyanatooxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4S,5S,6S)-3,4-diacetoxy-5-iodo-6-isothiocyanato-tetrahydropyran-2-yl]methyl ester Formula: C13H16INO7S MolecularWeight: 457.23811

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)N=C=S)I)OC(=O)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H16INO7S/c1-6(16)19-4-9-11(20-7(2)17)12(21-8(3)18)10(14)13(22-9)15-5-23/h9-13H,4H2,1-3H3/t9-,10+,11+,12-,13+/m1/s1