cobalt; cobalt(2+); 2-[(2-hydroxyethylamino)methyl]phenol; tetrahydrate

Systemtic Name: cobalt; cobalt(2+); 2-[(2-hydroxyethylamino)methyl]phenol; tetrahydrate Openeye Name: tricobaltous; cobalt; 2-[(2-hydroxyethylamino)methyl]phenol; tetrahydrate CAS Name: cobalt; cobalt(2+); 2-[(2-hydroxyethylamino)methyl]phenol; tetrahydrate IUPAC Name: cobalt; cobalt(2+); 2-[(2-hydroxyethylamino)methyl]phenol; tetrahydrate Traditional Name: tricobaltous; cobalt; 2-[(2-hydroxyethylamino)methyl]phenol; tetrahydrate Formula: C54H86Co6N6O16+6 MolecularWeight: 1428.89044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNCCO)O.C1=CC=C(C(=C1)CNCCO)O.C1=CC=C(C(=C1)CNCCO)O.C1=CC=C(C(=C1)CNCCO)O.C1=CC=C(C(=C1)CNCCO)O.C1=CC=C(C(=C1)CNCCO)O.O.O.O.O.[Co].[Co].[Co].[Co+2].[Co+2].[Co+2]

Isomeric SMILES

C1=CC=C(C(=C1)CNCCO)O.C1=CC=C(C(=C1)CNCCO)O.C1=CC=C(C(=C1)CNCCO)O.C1=CC=C(C(=C1)CNCCO)O.C1=CC=C(C(=C1)CNCCO)O.C1=CC=C(C(=C1)CNCCO)O.O.O.O.O.[Co].[Co].[Co].[Co+2].[Co+2].[Co+2]

InChI

InChI=1S/6C9H13NO2.6Co.4H2O/c6*11-6-5-10-7-8-3-1-2-4-9(8)12;;;;;;;;;;/h6*1-4,10-12H,5-7H2;;;;;;;4*1H2/q;;;;;;;;;3*+2;;;;