dicalcium cyclohexane-1,1-diamine tetraethanoate

Systemtic Name: dicalcium cyclohexane-1,1-diamine tetraethanoate Openeye Name: dicalcium cyclohexane-1,1-diamine tetraacetate CAS Name: dicalcium cyclohexane-1,1-diamine tetraacetate IUPAC Name: dicalcium cyclohexane-1,1-diamine tetraacetate Traditional Name: dicalcium (1-aminocyclohexyl)amine tetraacetate Formula: C14H26Ca2N2O8 MolecularWeight: 430.52084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].C1CCC(CC1)(N)N.[Ca+2].[Ca+2]

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].C1CCC(CC1)(N)N.[Ca+2].[Ca+2]

InChI

InChI=1S/C6H14N2.4C2H4O2.2Ca/c7-6(8)4-2-1-3-5-6;4*1-2(3)4;;/h1-5,7-8H2;4*1H3,(H,3,4);;/q;;;;;2*+2/p-4