calcium (2E)-2-(pyridin-4-ylcarbonylhydrazinylidene)propanoate heptahydrate

Systemtic Name: calcium (2E)-2-(pyridin-4-ylcarbonylhydrazinylidene)propanoate heptahydrate Openeye Name: calcium (2E)-2-(pyridine-4-carbonylhydrazono)propanoate heptahydrate CAS Name: calcium (2E)-2-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]propanoate heptahydrate IUPAC Name: calcium (2E)-2-(pyridine-4-carbonylhydrazinylidene)propanoate heptahydrate Traditional Name: calcium (2E)-2-(isonicotinoylhydrazono)propionate heptahydrate Formula: C18H30CaN6O13 MolecularWeight: 578.5412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=NC=C1)C(=O)[O-].CC(=NNC(=O)C1=CC=NC=C1)C(=O)[O-].O.O.O.O.O.O.O.[Ca+2]

Isomeric SMILES

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

InChI

InChI=1S/2C9H9N3O3.Ca.7H2O/c2*1-6(9(14)15)11-12-8(13)7-2-4-10-5-3-7;;;;;;;;/h2*2-5H,1H3,(H,12,13)(H,14,15);;7*1H2/q;;+2;;;;;;;/p-2/b2*11-6+;;;;;;;;