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calcium 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

calcium 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name:calcium 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate
Openeye Name:calcium 3,5-diacetamido-2,4,6-triiodo-benzoate
CAS Name:calcium 3,5-diacetamido-2,4,6-triiodobenzoate
IUPAC Name:calcium 3,5-diacetamido-2,4,6-triiodobenzoate
Traditional Name:calcium 3,5-diacetamido-2,4,6-triiodo-benzoate
Formula: C22H16CaI6N4O8
MolecularWeight: 1265.88926
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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.[Ca+2]


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.[Ca+2]


InChI

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


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