lanthanum(3+); 1,10-phenanthroline; trithiocyanate

Systemtic Name: lanthanum(3+); 1,10-phenanthroline; trithiocyanate Openeye Name: lanthanum(3+); 1,10-phenanthroline; trithiocyanate CAS Name: lanthanum(3+); 1,10-phenanthroline; trithiocyanate IUPAC Name: lanthanum(3+); 1,10-phenanthroline; trithiocyanate Traditional Name: lanthanum(3+); 1,10-phenanthroline; trithiocyanate Formula: C39H24LaN9S3 MolecularWeight: 853.76866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C12H8N2.3CHNS.La/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*2-1-3;/h3*1-8H;3*3H;/q;;;;;;+3/p-3