dioxidanium; nickel(2+); 3,4,7,8-tetramethyl-1,10-phenanthroline-1,10-diide

Systemtic Name: dioxidanium; nickel(2+); 3,4,7,8-tetramethyl-1,10-phenanthroline-1,10-diide Openeye Name: nickelous dioxonium 3,4,7,8-tetramethyl-1,10-phenanthroline-1,10-diide CAS Name: dioxonium; nickel(2+); 3,4,7,8-tetramethyl-1,10-phenanthroline-1,10-diide IUPAC Name: dioxidanium; nickel(2+); 3,4,7,8-tetramethyl-1,10-phenanthroline-1,10-diide Traditional Name: nickelous dioxonium 3,4,7,8-tetramethyl-1,10-phenanthroline-1,10-diide Formula: C32H38N4NiO2 MolecularWeight: 569.36312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N-]C2=C3C(=C(C(=C[N-]3)C)C)C=CC2=C1C.CC1=C[N-]C2=C3C(=C(C(=C[N-]3)C)C)C=CC2=C1C.[OH3+].[OH3+].[Ni+2]

Isomeric SMILES

CC1=C[N-]C2=C3C(=C(C(=C[N-]3)C)C)C=CC2=C1C.CC1=C[N-]C2=C3C(=C(C(=C[N-]3)C)C)C=CC2=C1C.[OH3+].[OH3+].[Ni+2]

InChI

InChI=1S/2C16H16N2.Ni.2H2O/c2*1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15;;;/h2*5-8H,1-4H3;;2*1H2/q2*-2;+2;;/p+2