1,10-phenanthroline-4,7-dicarboxylic acid; ruthenium(2+); diisothiocyanate

Systemtic Name: 1,10-phenanthroline-4,7-dicarboxylic acid; ruthenium(2+); diisothiocyanate Openeye Name: 1,10-phenanthroline-4,7-dicarboxylic acid; ruthenium(2+); diisothiocyanate CAS Name: 1,10-phenanthroline-4,7-dicarboxylic acid; ruthenium(2+); diisothiocyanate IUPAC Name: 1,10-phenanthroline-4,7-dicarboxylic acid; ruthenium(2+); diisothiocyanate Traditional Name: 1,10-phenanthroline-4,7-dicarboxylic acid; ruthenium(2+); diisothiocyanate Formula: C30H16N6O8RuS2 MolecularWeight: 753.68344

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Descriptors Computed from Structure

Canonical SMILES:

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.C(=[N-])=S.C(=[N-])=S.[Ru+2]

Isomeric SMILES

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.C(=[N-])=S.C(=[N-])=S.[Ru+2]

InChI

InChI=1S/2C14H8N2O4.2CNS.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;2*2-1-3;/h2*1-6H,(H,17,18)(H,19,20);;;/q;;2*-1;+2