calcium (2E)-2-(pyridin-4-ylcarbonylhydrazinylidene)ethanoate hexahydrate

Systemtic Name: calcium (2E)-2-(pyridin-4-ylcarbonylhydrazinylidene)ethanoate hexahydrate Openeye Name: calcium (2E)-2-(pyridine-4-carbonylhydrazono)acetate hexahydrate CAS Name: calcium (2E)-2-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]acetate hexahydrate IUPAC Name: calcium (2E)-2-(pyridine-4-carbonylhydrazinylidene)acetate hexahydrate Traditional Name: calcium (2E)-2-(isonicotinoylhydrazono)acetate hexahydrate Formula: C16H24CaN6O12 MolecularWeight: 532.47276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(=O)NN=CC(=O)[O-].C1=CN=CC=C1C(=O)NN=CC(=O)[O-].O.O.O.O.O.O.[Ca+2]

Isomeric SMILES

C1=CN=CC=C1C(=O)N/N=C/C(=O)[O-].C1=CN=CC=C1C(=O)N/N=C/C(=O)[O-].O.O.O.O.O.O.[Ca+2]

InChI

InChI=1S/2C8H7N3O3.Ca.6H2O/c2*12-7(13)5-10-11-8(14)6-1-3-9-4-2-6;;;;;;;/h2*1-5H,(H,11,14)(H,12,13);;6*1H2/q;;+2;;;;;;/p-2/b2*10-5+;;;;;;;