trisodium; pentane-2,4-diol; 1,10-phenanthroline-4,7-dicarboxylate; ruthenium

Systemtic Name: trisodium; pentane-2,4-diol; 1,10-phenanthroline-4,7-dicarboxylate; ruthenium Openeye Name: trisodium; pentane-2,4-diol; 1,10-phenanthroline-4,7-dicarboxylate; ruthenium CAS Name: trisodium; pentane-2,4-diol; 1,10-phenanthroline-4,7-dicarboxylate; ruthenium IUPAC Name: trisodium; pentane-2,4-diol; 1,10-phenanthroline-4,7-dicarboxylate; ruthenium Traditional Name: trisodium; pentane-2,4-diol; 1,10-phenanthroline-4,7-dicarboxylate; ruthenium Formula: C33H24N4Na3O10Ru- MolecularWeight: 806.60377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)O)O.C1=CC2=C(C=CN=C2C3=NC=CC(=C31)C(=O)[O-])C(=O)[O-].C1=CC2=C(C=CN=C2C3=NC=CC(=C31)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Ru]

Isomeric SMILES

CC(CC(C)O)O.C1=CC2=C(C=CN=C2C3=NC=CC(=C31)C(=O)[O-])C(=O)[O-].C1=CC2=C(C=CN=C2C3=NC=CC(=C31)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Ru]

InChI

InChI=1S/2C14H8N2O4.C5H12O2.3Na.Ru/c2*17-13(18)9-3-5-15-11-7(9)1-2-8-10(14(19)20)4-6-16-12(8)11;1-4(6)3-5(2)7;;;;/h2*1-6H,(H,17,18)(H,19,20);4-7H,3H2,1-2H3;;;;/q;;;3*+1;/p-4