1,10-phenanthroline-4,7-disulfonic acid; ruthenium

Systemtic Name: 1,10-phenanthroline-4,7-disulfonic acid; ruthenium Openeye Name: 1,10-phenanthroline-4,7-disulfonic acid; ruthenium CAS Name: 1,10-phenanthroline-4,7-disulfonic acid; ruthenium IUPAC Name: 1,10-phenanthroline-4,7-disulfonic acid; ruthenium Traditional Name: 1,10-phenanthroline-4,7-disulfonic acid; ruthenium Formula: C36H24N6O18RuS6 MolecularWeight: 1122.06516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C12H8N2O6S2.Ru/c3*15-21(16,17)9-3-5-13-11-7(9)1-2-8-10(22(18,19)20)4-6-14-12(8)11;/h3*1-6H,(H,15,16,17)(H,18,19,20);