calcium N-[[2-[2-[2-[2-[2-[(1-adamantylamino)-ethoxy-phosphoryl]oxyphenoxy]ethoxy]ethoxy]ethoxy]phenoxy]-ethoxy-phosphoryl]adamantan-1-amine diperchlorate

Systemtic Name: calcium N-[[2-[2-[2-[2-[2-[(1-adamantylamino)-ethoxy-phosphoryl]oxyphenoxy]ethoxy]ethoxy]ethoxy]phenoxy]-ethoxy-phosphoryl]adamantan-1-amine diperchlorate Openeye Name: calcium N-[[2-[2-[2-[2-[2-[(1-adamantylamino)-ethoxy-phosphoryl]oxyphenoxy]ethoxy]ethoxy]ethoxy]phenoxy]-ethoxy-phosphoryl]adamantan-1-amine diperchlorate CAS Name: calcium N-[[2-[2-[2-[2-[2-[(1-adamantylamino)-ethoxyphosphoryl]oxyphenoxy]ethoxy]ethoxy]ethoxy]phenoxy]-ethoxyphosphoryl]-1-adamantanamine diperchlorate IUPAC Name: calcium N-[[2-[2-[2-[2-[2-[(1-adamantylamino)-ethoxyphosphoryl]oxyphenoxy]ethoxy]ethoxy]ethoxy]phenoxy]-ethoxyphosphoryl]adamantan-1-amine diperchlorate Traditional Name: calcium 1-adamantyl-[[2-[2-[2-[2-[2-[(1-adamantylamino)-ethoxy-phosphoryl]oxyphenoxy]ethoxy]ethoxy]ethoxy]phenoxy]-ethoxy-phosphoryl]amine diperchlorate Formula: C42H62CaCl2N2O18P2 MolecularWeight: 1055.875802

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(NC12CC3CC(C1)CC(C3)C2)OC4=CC=CC=C4OCCOCCOCCOC5=CC=CC=C5OP(=O)(NC67CC8CC(C6)CC(C8)C7)OCC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ca+2]

Isomeric SMILES

CCOP(=O)(NC12CC3CC(C1)CC(C3)C2)OC4=CC=CC=C4OCCOCCOCCOC5=CC=CC=C5OP(=O)(NC67CC8CC(C6)CC(C8)C7)OCC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ca+2]

InChI

InChI=1S/C42H62N2O10P2.Ca.2ClHO4/c1-3-51-55(45,43-41-25-31-19-32(26-41)21-33(20-31)27-41)53-39-11-7-5-9-37(39)49-17-15-47-13-14-48-16-18-50-38-10-6-8-12-40(38)54-56(46,52-4-2)44-42-28-34-22-35(29-42)24-36(23-34)30-42;;2*2-1(3,4)5/h5-12,31-36H,3-4,13-30H2,1-2H3,(H,43,45)(H,44,46);;2*(H,2,3,4,5)/q;+2;;/p-2