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

Systemtic Name: sodium; 3-acetamido-5-(acetamidomethyl)-2,4,6-tris(iodanyl)benzoate; 3-acetamido-5-(acetamidomethyl)-2,4,6-tris(iodanyl)benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol Openeye Name: sodium; 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodo-benzoate; 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodo-benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol CAS Name: sodium; 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoate; 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol IUPAC Name: sodium; 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoate; 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol Traditional Name: sodium; 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodo-benzoate; 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodo-benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol Formula: C31H38I6N5NaO13 MolecularWeight: 1473.07571

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I.CC(=O)NCC1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)C)I.CNCC(C(C(C(CO)O)O)O)O.[Na+]

Isomeric SMILES

CC(=O)NCC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I.CC(=O)NCC1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)C)I.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.[Na+]

InChI

InChI=1S/2C12H11I3N2O4.C7H17NO5.Na/c2*1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19;1-8-2-4(10)6(12)7(13)5(11)3-9;/h2*3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21);4-13H,2-3H2,1H3;/q;;;+1/p-1/t;;4-,5+,6+,7+;/m..0./s1