nickel(2+); 2,4,6-tris(phenylmethoxy)cyclohexane-1,3,5-triamine

Systemtic Name: nickel(2+); 2,4,6-tris(phenylmethoxy)cyclohexane-1,3,5-triamine Openeye Name: nickelous 2,4,6-tribenzyloxycyclohexane-1,3,5-triamine CAS Name: nickel(2+); 2,4,6-tris(phenylmethoxy)cyclohexane-1,3,5-triamine IUPAC Name: nickel(2+); 2,4,6-tris(phenylmethoxy)cyclohexane-1,3,5-triamine Traditional Name: nickelous (3,5-diamino-2,4,6-tribenzoxy-cyclohexyl)amine Formula: C54H66N6NiO6+2 MolecularWeight: 953.83184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2C(C(C(C(C2N)OCC3=CC=CC=C3)N)OCC4=CC=CC=C4)N.C1=CC=C(C=C1)COC2C(C(C(C(C2N)OCC3=CC=CC=C3)N)OCC4=CC=CC=C4)N.[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)COC2C(C(C(C(C2N)OCC3=CC=CC=C3)N)OCC4=CC=CC=C4)N.C1=CC=C(C=C1)COC2C(C(C(C(C2N)OCC3=CC=CC=C3)N)OCC4=CC=CC=C4)N.[Ni+2]

InChI

InChI=1S/2C27H33N3O3.Ni/c2*28-22-25(31-16-19-10-4-1-5-11-19)23(29)27(33-18-21-14-8-3-9-15-21)24(30)26(22)32-17-20-12-6-2-7-13-20;/h2*1-15,22-27H,16-18,28-30H2;/q;;+2