3-acetamido-2,4,6-tris(iodanyl)benzoate; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

Systemtic Name: 3-acetamido-2,4,6-tris(iodanyl)benzoate; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol Openeye Name: 3-acetamido-2,4,6-triiodo-benzoate; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol CAS Name: 3-acetamido-2,4,6-triiodobenzoate; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol IUPAC Name: 3-acetamido-2,4,6-triiodobenzoate; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol Traditional Name: 3-acetamido-2,4,6-triiodo-benzoate; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol Formula: C16H22I3N2O8- MolecularWeight: 751.06789

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1I)C(=O)[O-])I)I.CNCC(C(C(C(CO)O)O)O)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1I)C(=O)[O-])I)I.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

InChI

InChI=1S/C9H6I3NO3.C7H17NO5/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16;1-8-2-4(10)6(12)7(13)5(11)3-9/h2H,1H3,(H,13,14)(H,15,16);4-13H,2-3H2,1H3/p-1/t;4-,5+,6+,7+/m.0/s1