calcium 3-(dimethylaminomethylideneamino)-3-[2,4,6-tris(iodanyl)phenyl]propanoate

Systemtic Name: calcium 3-(dimethylaminomethylideneamino)-3-[2,4,6-tris(iodanyl)phenyl]propanoate Openeye Name: calcium 3-(dimethylaminomethyleneamino)-3-(2,4,6-triiodophenyl)propanoate CAS Name: calcium 3-(dimethylaminomethylideneamino)-3-(2,4,6-triiodophenyl)propanoate IUPAC Name: calcium 3-(dimethylaminomethylideneamino)-3-(2,4,6-triiodophenyl)propanoate Traditional Name: calcium 3-(dimethylaminomethyleneamino)-3-(2,4,6-triiodophenyl)propionate Formula: C24H24CaI6N4O4 MolecularWeight: 1233.97658

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NC(CC(=O)[O-])C1=C(C=C(C=C1I)I)I.CN(C)C=NC(CC(=O)[O-])C1=C(C=C(C=C1I)I)I.[Ca+2]

Isomeric SMILES

CN(C)C=NC(CC(=O)[O-])C1=C(C=C(C=C1I)I)I.CN(C)C=NC(CC(=O)[O-])C1=C(C=C(C=C1I)I)I.[Ca+2]

InChI

InChI=1S/2C12H13I3N2O2.Ca/c2*1-17(2)6-16-10(5-11(18)19)12-8(14)3-7(13)4-9(12)15;/h2*3-4,6,10H,5H2,1-2H3,(H,18,19);/q;;+2/p-2