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

Systemtic Name: pentane-2,4-diol; 1,10-phenanthroline-4,7-dicarboxylic acid; ruthenium(2+) Openeye Name: pentane-2,4-diol; 1,10-phenanthroline-4,7-dicarboxylic acid; ruthenium(2+) CAS Name: pentane-2,4-diol; 1,10-phenanthroline-4,7-dicarboxylic acid; ruthenium(2+) IUPAC Name: pentane-2,4-diol; 1,10-phenanthroline-4,7-dicarboxylic acid; ruthenium(2+) Traditional Name: pentane-2,4-diol; 1,10-phenanthroline-4,7-dicarboxylic acid; ruthenium(2+) Formula: C33H28N4O10Ru+2 MolecularWeight: 741.66622

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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.[Ru+2]

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.[Ru+2]

InChI

InChI=1S/2C14H8N2O4.C5H12O2.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;;;+2