bis(triphenyl-$l^{5}-phosphanylidene)azanium; (3S,10S)-3,10-dimethyl-1,4,8,11-tetrazanidacyclotetradecane-2,5,9,12-tetrone; nickel(2+)

Systemtic Name: bis(triphenyl-$l^{5}-phosphanylidene)azanium; (3S,10S)-3,10-dimethyl-1,4,8,11-tetrazanidacyclotetradecane-2,5,9,12-tetrone; nickel(2+) Openeye Name: nickelous; bis(triphenyl-$l^{5}-phosphanylidene)ammonium; (3S,10S)-3,10-dimethyl-1,4,8,11-tetrazanidacyclotetradecane-2,5,9,12-tetrone CAS Name: bis(triphenylphosphoranylidene)ammonium; (3S,10S)-3,10-dimethyl-1,4,8,11-tetrazanidacyclotetradecane-2,5,9,12-tetrone; nickel(2+) IUPAC Name: bis(triphenyl-$l^{5}-phosphanylidene)azanium; (3S,10S)-3,10-dimethyl-1,4,8,11-tetrazanidacyclotetradecane-2,5,9,12-tetrone; nickel(2+) Traditional Name: nickelous; bis(triphenylphosphoranylidene)ammonium; (3S,10S)-3,10-dimethyl-1,4,8,11-tetrazanidacyclotetradecane-2,5,9,12-diquinone Formula: C84H76N6NiO4P4 MolecularWeight: 1416.128484

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)[N-]CCC(=O)[N-]C(C(=O)[N-]CCC(=O)[N-]1)C.C1=CC=C(C=C1)P(=[N+]=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.C1=CC=C(C=C1)P(=[N+]=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Ni+2]

Isomeric SMILES

C[C@H]1C(=O)[N-]CCC(=O)[N-][C@H](C(=O)[N-]CCC(=O)[N-]1)C.C1=CC=C(C=C1)P(=[N+]=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.C1=CC=C(C=C1)P(=[N+]=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Ni+2]

InChI

InChI=1S/2C36H30NP2.C12H20N4O4.Ni/c2*1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;1-7-11(19)13-5-4-10(18)16-8(2)12(20)14-6-3-9(17)15-7;/h2*1-30H;7-8H,3-6H2,1-2H3,(H4,13,14,15,16,17,18,19,20);/q2*+1;;+2/p-4/t;;7-,8-;/m..0./s1