carbon monoxide; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; pyridine-4-carboxylate; rhenium

Systemtic Name: carbon monoxide; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; pyridine-4-carboxylate; rhenium Openeye Name: carbon monoxide; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; pyridine-4-carboxylate; rhenium CAS Name: carbon monoxide; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; 4-pyridinecarboxylate; rhenium IUPAC Name: carbon monoxide; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; pyridine-4-carboxylate; rhenium Traditional Name: carbon monoxide; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; isonicotinate; rhenium Formula: C35H24N3O5Re- MolecularWeight: 752.78916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC=CC=C4)C)C(=C1)C5=CC=CC=C5.[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CN=CC=C1C(=O)[O-].[Re]

Isomeric SMILES

CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC=CC=C4)C)C(=C1)C5=CC=CC=C5.[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CN=CC=C1C(=O)[O-].[Re]

InChI

InChI=1S/C26H20N2.C6H5NO2.3CO.Re/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17;8-6(9)5-1-3-7-4-2-5;3*1-2;/h3-16H,1-2H3;1-4H,(H,8,9);;;;/p-1