dioxidanium; azanide; cobalt; 1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole; sulfuric acid; hydrate

Systemtic Name: dioxidanium; azanide; cobalt; 1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole; sulfuric acid; hydrate Openeye Name: dioxonium; azanide; cobalt; 1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole; sulfuric acid; hydrate CAS Name: dioxonium; azanide; cobalt; 1-[[4-(1-imidazolylmethyl)phenyl]methyl]imidazole; sulfuric acid; hydrate IUPAC Name: dioxidanium; azanide; cobalt; 1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole; sulfuric acid; hydrate Traditional Name: dioxonium; azanide; cobalt; 1-[4-(imidazol-1-ylmethyl)benzyl]imidazole; sulfuric acid; hydrate Formula: C14H26Co3N5O7S+ MolecularWeight: 585.25014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=CN=C2)CN3C=CN=C3.[NH2-].[OH3+].[OH3+].O.OS(=O)(=O)O.[Co].[Co].[Co]

Isomeric SMILES

C1=CC(=CC=C1CN2C=CN=C2)CN3C=CN=C3.[NH2-].[OH3+].[OH3+].O.OS(=O)(=O)O.[Co].[Co].[Co]

InChI

InChI=1S/C14H14N4.3Co.H2N.H2O4S.3H2O/c1-2-14(10-18-8-6-16-12-18)4-3-13(1)9-17-7-5-15-11-17;;;;;1-5(2,3)4;;;/h1-8,11-12H,9-10H2;;;;1H2;(H2,1,2,3,4);3*1H2/q;;;;-1;;;;/p+2