1,10-phenanthroline; 2-(phenylmethyl)iminoethanoic acid; ruthenium(1+); perchlorate

Systemtic Name: 1,10-phenanthroline; 2-(phenylmethyl)iminoethanoic acid; ruthenium(1+); perchlorate Openeye Name: 2-benzyliminoacetic acid; 1,10-phenanthroline; ruthenium(1+); perchlorate CAS Name: 1,10-phenanthroline; 2-(phenylmethyl)iminoacetic acid; ruthenium(1+); perchlorate IUPAC Name: 2-benzyliminoacetic acid; 1,10-phenanthroline; ruthenium(1+); perchlorate Traditional Name: 2-benzyliminoacetic acid; 1,10-phenanthroline; ruthenium(1+); perchlorate Formula: C33H25ClN5O6Ru MolecularWeight: 724.1045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H8N2.C9H9NO2.ClHO4.Ru/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;11-9(12)7-10-6-8-4-2-1-3-5-8;2-1(3,4)5;/h2*1-8H;1-5,7H,6H2,(H,11,12);(H,2,3,4,5);/q;;;;+1/p-1