2,3,4,4a,5,6,6a,7,8,9,10a,10b-dodecahydro-1,10-phenanthroline-1,10-diide; lanthanum(3+); 2H-1,10-phenanthrolin-1-ide; thiocyanate

Systemtic Name: 2,3,4,4a,5,6,6a,7,8,9,10a,10b-dodecahydro-1,10-phenanthroline-1,10-diide; lanthanum(3+); 2H-1,10-phenanthrolin-1-ide; thiocyanate Openeye Name: 2,3,4,4a,5,6,6a,7,8,9,10a,10b-dodecahydro-1,10-phenanthroline-1,10-diide; lanthanum(3+); 2H-1,10-phenanthrolin-1-ide; thiocyanate CAS Name: 2,3,4,4a,5,6,6a,7,8,9,10a,10b-dodecahydro-1,10-phenanthroline-1,10-diide; lanthanum(3+); 2H-1,10-phenanthrolin-1-ide; thiocyanate IUPAC Name: 2,3,4,4a,5,6,6a,7,8,9,10a,10b-dodecahydro-1,10-phenanthroline-1,10-diide; lanthanum(3+); 2H-1,10-phenanthrolin-1-ide; thiocyanate Traditional Name: 2,3,4,4a,5,6,6a,7,8,9,10a,10b-dodecahydro-1,10-phenanthroline-1,10-diide; lanthanum(3+); 2H-1,10-phenanthrolin-1-ide; thiocyanate Formula: C37H49LaN7S-3 MolecularWeight: 762.80236

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC3CCC[N-]C3C2[N-]C1.C1CC2CCC3CCC[N-]C3C2[N-]C1.C1C=CC2=C([N-]1)C3=C(C=CC=N3)C=C2.C(#N)[S-].[La+3]

Isomeric SMILES

C1CC2CCC3CCC[N-]C3C2[N-]C1.C1CC2CCC3CCC[N-]C3C2[N-]C1.C1C=CC2=C([N-]1)C3=C(C=CC=N3)C=C2.C(#N)[S-].[La+3]

InChI

InChI=1S/2C12H20N2.C12H9N2.CHNS.La/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2-1-3;/h2*9-12H,1-8H2;1-7H,8H2;3H;/q2*-2;-1;;+3/p-1