1-Adamantylphosphonyldibenzo-17-crown-6 calcium complex

Molecular Formula: C₅₆H₇₂CaCl₂N₂O₂₂P₂

InChI: InChI=1/2C28H36NO7P.Ca.2ClHO4/c2*30-37(29-28-18-21-15-22(19-28)17-23(16-21)20-28)35-26-7-3-1-5-24(26)33-13-11-31-9-10-32-12-14-34-25-6-2-4-8-27(25)36-37;;2*2-1(3,4)5/h2*1-8,21-23H,9-20H2,(H,29,30);;2*(H,2,3,4,5)/q;;+2;;/p-2/f2C28H36NO7P.Ca.2ClO4/h2*29H;;;/q;;m;2*-1

InChIKey: InChIKey=AYQRLJVPSUVHGB-YIHHSCEVCY
SMILES: C1COCCOC2=CC=CC=C2OP(=O)(OC3=CC=CC=C3OCCO1)NC45CC6CC(C4)CC(C6)C5.C1COCCOC2=CC=CC=C2OP(=O)(OC3=CC=CC=C3OCCO1)NC45CC6CC(C4)CC(C6)C5.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ca+2]

Names:
    Calcium(2+), bis(6,7,9,10,12,13-hexahydro-20-tricyclo(3.3.1.1(sup 3,7))dec-1-yldibenzo(d,p)(1,3,6,9,12,15,20)hexaoxaphosphacycloheptadecin 20-oxide-O(sup 5),O(sup 8),),O(sup 11), O(sup 14))-, diperchlorate
    Calcium(2+), bis(6,7,9,10,12,13-hexahydro-20-tricyclo(3.3.1.1(3,7))dec-1-yldibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin 20-oxide-O5,O8,O11,O14)-, diperchlorate
    1-Adamantylphosphonyldibenzo-17-crown-6 calcium complex
    136370-89-3

Registries:
    PubChem CID 64628
    PubChem ID 206557