N5,N6-diphenyltetradecane-5,6-diimine; 2-ethyl-5,6-bis(oxidanyl)-3-propyl-benzoate; nickel(2+)

Systemtic Name: N5,N6-diphenyltetradecane-5,6-diimine; 2-ethyl-5,6-bis(oxidanyl)-3-propyl-benzoate; nickel(2+) Openeye Name: nickelous; N5,N6-diphenyltetradecane-5,6-diimine; 2-ethyl-5,6-dihydroxy-3-propyl-benzoate CAS Name: N5,N6-diphenyltetradecane-5,6-diimine; 2-ethyl-5,6-dihydroxy-3-propylbenzoate; nickel(2+) IUPAC Name: 5-N,6-N-diphenyltetradecane-5,6-diimine; 2-ethyl-5,6-dihydroxy-3-propylbenzoate; nickel(2+) Traditional Name: nickelous; 1-(C-butyl-N-phenyl-carbonimidoyl)nonylidene-phenyl-amine; 2-ethyl-5,6-dihydroxy-3-propyl-benzoate Formula: C50H66N2NiO8 MolecularWeight: 881.76104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.CCCC1=CC(=C(C(=C1CC)C(=O)[O-])O)O.CCCC1=CC(=C(C(=C1CC)C(=O)[O-])O)O.[Ni+2]

Isomeric SMILES

CCCCCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.CCCC1=CC(=C(C(=C1CC)C(=O)[O-])O)O.CCCC1=CC(=C(C(=C1CC)C(=O)[O-])O)O.[Ni+2]

InChI

InChI=1S/C26H36N2.2C12H16O4.Ni/c1-3-5-7-8-9-16-22-26(28-24-19-14-11-15-20-24)25(21-6-4-2)27-23-17-12-10-13-18-23;2*1-3-5-7-6-9(13)11(14)10(12(15)16)8(7)4-2;/h10-15,17-20H,3-9,16,21-22H2,1-2H3;2*6,13-14H,3-5H2,1-2H3,(H,15,16);/q;;;+2/p-2