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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NC1=C(C=C(C(=C1I)CCC(=O)[O-])I)I.CN(C)C=NC1=C(C=C(C(=C1I)CCC(=O)[O-])I)I.[Ca+2]

Isomeric SMILES

CN(C)C=NC1=C(C=C(C(=C1I)CCC(=O)[O-])I)I.CN(C)C=NC1=C(C=C(C(=C1I)CCC(=O)[O-])I)I.[Ca+2]

InChI

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