lanthanum(3+); 1,10-phenanthrolin-2-ylmethanamine; 3-phenylpropanoate; perchlorate

Systemtic Name: lanthanum(3+); 1,10-phenanthrolin-2-ylmethanamine; 3-phenylpropanoate; perchlorate Openeye Name: lanthanum(3+); 1,10-phenanthrolin-2-ylmethanamine; 3-phenylpropanoate; perchlorate CAS Name: lanthanum(3+); 1,10-phenanthrolin-2-ylmethanamine; 3-phenylpropanoate; perchlorate IUPAC Name: lanthanum(3+); 1,10-phenanthrolin-2-ylmethanamine; 3-phenylpropanoate; perchlorate Traditional Name: lanthanum(3+); 1,10-phenanthrolin-2-ylmethylamine; 3-phenylpropionate; perchlorate Formula: C44H40ClLaN6O8 MolecularWeight: 955.1823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)[O-].C1=CC=C(C=C1)CCC(=O)[O-].C1=CC2=C(C3=C(C=C2)C=CC(=N3)CN)N=C1.C1=CC2=C(C3=C(C=C2)C=CC(=N3)CN)N=C1.[O-]Cl(=O)(=O)=O.[La+3]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)[O-].C1=CC=C(C=C1)CCC(=O)[O-].C1=CC2=C(C3=C(C=C2)C=CC(=N3)CN)N=C1.C1=CC2=C(C3=C(C=C2)C=CC(=N3)CN)N=C1.[O-]Cl(=O)(=O)=O.[La+3]

InChI

InChI=1S/2C13H11N3.2C9H10O2.ClHO4.La/c2*14-8-11-6-5-10-4-3-9-2-1-7-15-12(9)13(10)16-11;2*10-9(11)7-6-8-4-2-1-3-5-8;2-1(3,4)5;/h2*1-7H,8,14H2;2*1-5H,6-7H2,(H,10,11);(H,2,3,4,5);/q;;;;;+3/p-3