calcium 3-acetamido-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)benzoate

Systemtic Name: calcium 3-acetamido-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)benzoate Openeye Name: calcium 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-benzoate CAS Name: calcium 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoate IUPAC Name: calcium 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoate Traditional Name: calcium 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-benzoate Formula: C24H20CaI6N4O8 MolecularWeight: 1293.94242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)N(C)C(=O)C)I.CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)N(C)C(=O)C)I.[Ca+2]

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)N(C)C(=O)C)I.CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)N(C)C(=O)C)I.[Ca+2]

InChI

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