cobalt; cobalt(2+); ethane-1,1-diol; ethanoic acid; 1,10-phenanthroline-1,10-diide

Systemtic Name: cobalt; cobalt(2+); ethane-1,1-diol; ethanoic acid; 1,10-phenanthroline-1,10-diide Openeye Name: dicobaltous; acetic acid; cobalt; ethane-1,1-diol; 1,10-phenanthroline-1,10-diide CAS Name: acetic acid; cobalt; cobalt(2+); ethane-1,1-diol; 1,10-phenanthroline-1,10-diide IUPAC Name: acetic acid; cobalt; cobalt(2+); ethane-1,1-diol; 1,10-phenanthroline-1,10-diide Traditional Name: dicobaltous; acetic acid; cobalt; ethane-1,1-diol; 1,10-phenanthroline-1,10-diide Formula: C36H48Co3N4O12 MolecularWeight: 905.58552

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(=O)O.CC(=O)O.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.[Co].[Co+2].[Co+2]

Isomeric SMILES

CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(=O)O.CC(=O)O.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.[Co].[Co+2].[Co+2]

InChI

InChI=1S/2C12H8N2.4C2H6O2.2C2H4O2.3Co/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;6*1-2(3)4;;;/h2*1-8H;4*2-4H,1H3;2*1H3,(H,3,4);;;/q2*-2;;;;;;;;2*+2