cadmium; cyclopenta-1,3-diene; 3-cyclopenta-2,4-dien-1-ylbut-2-ene-1,1-diol; iron; 1,10-phenanthroline-1,10-diide

Systemtic Name: cadmium; cyclopenta-1,3-diene; 3-cyclopenta-2,4-dien-1-ylbut-2-ene-1,1-diol; iron; 1,10-phenanthroline-1,10-diide Openeye Name: cadmium; cyclopenta-1,3-diene; 3-cyclopenta-2,4-dien-1-ylbut-2-ene-1,1-diol; iron; 1,10-phenanthroline-1,10-diide CAS Name: cadmium; cyclopenta-1,3-diene; 3-(1-cyclopenta-2,4-dienyl)-2-butene-1,1-diol; iron; 1,10-phenanthroline-1,10-diide IUPAC Name: cadmium; cyclopenta-1,3-diene; 3-cyclopenta-2,4-dien-1-ylbut-2-ene-1,1-diol; iron; 1,10-phenanthroline-1,10-diide Traditional Name: cadmium; cyclopenta-1,3-diene; 3-cyclopenta-2,4-dien-1-ylbut-2-ene-1,1-diol; iron; 1,10-phenanthroline-1,10-diide Formula: C76H64Cd2Fe2N8O4-12 MolecularWeight: 1489.88456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(O)O)[C-]1C=CC=C1.CC(=CC(O)O)[C-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.[Fe].[Fe].[Cd].[Cd]

Isomeric SMILES

CC(=CC(O)O)[C-]1C=CC=C1.CC(=CC(O)O)[C-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.[Fe].[Fe].[Cd].[Cd]

InChI

InChI=1S/4C12H8N2.2C9H11O2.2C5H5.2Cd.2Fe/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-7(6-9(10)11)8-4-2-3-5-8;2*1-2-4-5-3-1;;;;/h4*1-8H;2*2-6,9-11H,1H3;2*1-5H;;;;/q4*-2;4*-1;;;;