sodium; (2S)-2,6-bis(azanyl)hexanoic acid; 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate; 3,5-diacetamido-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: sodium; (2S)-2,6-bis(azanyl)hexanoic acid; 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate; 3,5-diacetamido-2,4,6-tris(iodanyl)benzoic acid Openeye Name: sodium; 3,5-diacetamido-2,4,6-triiodo-benzoate; 3,5-diacetamido-2,4,6-triiodo-benzoic acid; (2S)-2,6-diaminohexanoic acid CAS Name: sodium; 3,5-diacetamido-2,4,6-triiodobenzoate; 3,5-diacetamido-2,4,6-triiodobenzoic acid; (2S)-2,6-diaminohexanoic acid IUPAC Name: sodium; 3,5-diacetamido-2,4,6-triiodobenzoate; 3,5-diacetamido-2,4,6-triiodobenzoic acid; (2S)-2,6-diaminohexanoic acid Traditional Name: sodium; 3,5-diacetamido-2,4,6-triiodo-benzoate; 3,5-diacetamido-2,4,6-triiodo-benzoic acid; (2S)-2,6-diaminohexanoic acid Formula: C28H31I6N6NaO10 MolecularWeight: 1395.99653

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I.CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)C)I.C(CCN)CC(C(=O)O)N.[Na+]

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I.CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)C)I.C(CCN)C[C@@H](C(=O)O)N.[Na+]

InChI

InChI=1S/2C11H9I3N2O4.C6H14N2O2.Na/c2*1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;7-4-2-1-3-5(8)6(9)10;/h2*1-2H3,(H,15,17)(H,16,18)(H,19,20);5H,1-4,7-8H2,(H,9,10);/q;;;+1/p-1/t;;5-;/m..0./s1