5-[acetyloxy(ethanoyl)amino]-2,4,6-tris(iodanyl)benzene-1,3-dicarboxylic acid; 2,3-bis(oxidanyl)propanamide

Systemtic Name: 5-[acetyloxy(ethanoyl)amino]-2,4,6-tris(iodanyl)benzene-1,3-dicarboxylic acid; 2,3-bis(oxidanyl)propanamide Openeye Name: 5-[acetoxy(acetyl)amino]-2,4,6-triiodo-benzene-1,3-dicarboxylic acid; 2,3-dihydroxypropanamide CAS Name: 5-[acetyl(acetyloxy)amino]-2,4,6-triiodobenzene-1,3-dicarboxylic acid; 2,3-dihydroxypropanamide IUPAC Name: 5-[acetyl(acetyloxy)amino]-2,4,6-triiodobenzene-1,3-dicarboxylic acid; 2,3-dihydroxypropanamide Traditional Name: 5-[acetoxy(acetyl)amino]-2,4,6-triiodo-isophthalic acid; glyceramide Formula: C18H22I3N3O13 MolecularWeight: 869.09299

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)O)I)OC(=O)C.C(C(C(=O)N)O)O.C(C(C(=O)N)O)O

Isomeric SMILES

CC(=O)N(C1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)O)I)OC(=O)C.C(C(C(=O)N)O)O.C(C(C(=O)N)O)O

InChI

InChI=1S/C12H8I3NO7.2C3H7NO3/c1-3(17)16(23-4(2)18)10-8(14)5(11(19)20)7(13)6(9(10)15)12(21)22;2*4-3(7)2(6)1-5/h1-2H3,(H,19,20)(H,21,22);2*2,5-6H,1H2,(H2,4,7)