cobalt(3+); ethanenitrile; N-methyl-2-[2-(2-methylazanidyl-2-oxidanylidene-ethanoyl)azanidylphenyl]azanidyl-2-oxidanylidene-ethanimidate; tetramethylazanium; dihydrate

Systemtic Name: cobalt(3+); ethanenitrile; N-methyl-2-[2-(2-methylazanidyl-2-oxidanylidene-ethanoyl)azanidylphenyl]azanidyl-2-oxidanylidene-ethanimidate; tetramethylazanium; dihydrate Openeye Name: cobaltic; acetonitrile; N-methyl-2-[2-(2-methylazanidyl-2-oxo-acetyl)azanidylphenyl]azanidyl-2-oxo-ethanimidate; tetramethylammonium; dihydrate CAS Name: acetonitrile; cobalt(3+); N-methyl-2-[2-(2-methylazanidyl-1,2-dioxoethyl)azanidylphenyl]azanidyl-2-oxoethanimidate; tetramethylammonium; dihydrate IUPAC Name: acetonitrile; cobalt(3+); N-methyl-2-[2-(2-methylazanidyl-2-oxoacetyl)azanidylphenyl]azanidyl-2-oxoethanimidate; tetramethylazanium; dihydrate Traditional Name: cobaltic; acetonitrile; 2-keto-2-[2-(2-keto-2-methylazanidyl-acetyl)azanidylphenyl]azanidyl-N-methyl-acetimidate; tetramethylammonium; dihydrate Formula: C18H29CoN6O6 MolecularWeight: 484.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.C[N-]C(=O)C(=O)[N-]C1=CC=CC=C1[N-]C(=O)C(=NC)[O-].C[N+](C)(C)C.O.O.[Co+3]

Isomeric SMILES

CC#N.C[N-]C(=O)C(=O)[N-]C1=CC=CC=C1[N-]C(=O)C(=NC)[O-].C[N+](C)(C)C.O.O.[Co+3]

InChI

InChI=1S/C12H14N4O4.C4H12N.C2H3N.Co.2H2O/c1-13-9(17)11(19)15-7-5-3-4-6-8(7)16-12(20)10(18)14-2;1-5(2,3)4;1-2-3;;;/h3-6H,1-2H3,(H4,13,14,15,16,17,18,19,20);1-4H3;1H3;;2*1H2/q;+1;;+3;;/p-4