azanide; cobalt; cobalt(2+); (4-methyl-3,5-dinitro-phenyl)methanediol; 4-piperidin-1-id-4-yl-3,6-dihydro-2H-pyridin-1-ide; hydrate

Systemtic Name: azanide; cobalt; cobalt(2+); (4-methyl-3,5-dinitro-phenyl)methanediol; 4-piperidin-1-id-4-yl-3,6-dihydro-2H-pyridin-1-ide; hydrate Openeye Name: cobaltous; azanide; cobalt; (4-methyl-3,5-dinitro-phenyl)methanediol; 4-piperidin-1-id-4-yl-3,6-dihydro-2H-pyridin-1-ide; hydrate CAS Name: azanide; cobalt; cobalt(2+); (4-methyl-3,5-dinitrophenyl)methanediol; 4-(4-piperidin-1-idyl)-3,6-dihydro-2H-pyridin-1-ide; hydrate IUPAC Name: azanide; cobalt; cobalt(2+); (4-methyl-3,5-dinitrophenyl)methanediol; 4-piperidin-1-id-4-yl-3,6-dihydro-2H-pyridin-1-ide; hydrate Traditional Name: cobaltous; azanide; cobalt; (4-methyl-3,5-dinitro-phenyl)methanediol; 4-piperidin-1-id-4-yl-3,6-dihydro-2H-pyridin-1-ide; hydrate Formula: C26H36Co3N7O13- MolecularWeight: 831.40274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(O)O)[N+](=O)[O-].CC1=C(C=C(C=C1[N+](=O)[O-])C(O)O)[N+](=O)[O-].C1C[N-]CCC1C2=CC[N-]CC2.[NH2-].O.[Co].[Co].[Co+2]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(O)O)[N+](=O)[O-].CC1=C(C=C(C=C1[N+](=O)[O-])C(O)O)[N+](=O)[O-].C1C[N-]CCC1C2=CC[N-]CC2.[NH2-].O.[Co].[Co].[Co+2]

InChI

InChI=1S/C10H16N2.2C8H8N2O6.3Co.H2N.H2O/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16;;;;;/h1,10H,2-8H2;2*2-3,8,11-12H,1H3;;;;2*1H2/q-2;;;;;+2;-1;