benzene; [2,6-di(propan-2-yl)phenyl]-[4-[2,6-di(propan-2-yl)phenyl]azanidyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]azanide; nickel(2+); triphenylphosphane

Systemtic Name: benzene; [2,6-di(propan-2-yl)phenyl]-[4-[2,6-di(propan-2-yl)phenyl]azanidyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]azanide; nickel(2+); triphenylphosphane Openeye Name: dinickelous; benzene; (2,6-diisopropylphenyl)-[4-(2,6-diisopropylphenyl)azanidyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl]azanide; triphenylphosphane CAS Name: benzene; [2,6-di(propan-2-yl)phenyl]-[4-[2,6-di(propan-2-yl)phenyl]azanidyl-3,6-dioxo-1-cyclohexa-1,4-dienyl]azanide; nickel(2+); triphenylphosphine IUPAC Name: benzene; [2,6-di(propan-2-yl)phenyl]-[4-[2,6-di(propan-2-yl)phenyl]azanidyl-3,6-dioxocyclohexa-1,4-dien-1-yl]azanide; nickel(2+); triphenylphosphane Traditional Name: dinickelous; benzene; (2,6-diisopropylphenyl)-[4-(2,6-diisopropylphenyl)azanidyl-3,6-diketo-cyclohexa-1,4-dien-1-yl]azanide; triphenylphosphine Formula: C78H76N2Ni2O2P2 MolecularWeight: 1252.784562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)[N-]C2=CC(=O)C(=CC2=O)[N-]C3=C(C=CC=C3C(C)C)C(C)C.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2].[Ni+2]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)[N-]C2=CC(=O)C(=CC2=O)[N-]C3=C(C=CC=C3C(C)C)C(C)C.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2].[Ni+2]

InChI

InChI=1S/C30H38N2O2.2C18H15P.2C6H5.2Ni/c1-17(2)21-11-9-12-22(18(3)4)29(21)31-25-15-28(34)26(16-27(25)33)32-30-23(19(5)6)13-10-14-24(30)20(7)8;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-4-6-5-3-1;;/h9-20H,1-8H3,(H2,31,32,33,34);2*1-15H;2*1-5H;;/q;;;2*-1;2*+2/p-2