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

Systemtic Name: N5,N6-diphenyldodecane-5,6-diimine; 3-ethyl-2-methyl-5,6-bis(oxidanyl)benzoate; nickel(2+) Openeye Name: nickelous; N5,N6-diphenyldodecane-5,6-diimine; 5-ethyl-2,3-dihydroxy-6-methyl-benzoate CAS Name: N5,N6-diphenyldodecane-5,6-diimine; 5-ethyl-2,3-dihydroxy-6-methylbenzoate; nickel(2+) IUPAC Name: 5-N,6-N-diphenyldodecane-5,6-diimine; 5-ethyl-2,3-dihydroxy-6-methylbenzoate; nickel(2+) Traditional Name: nickelous; 1-(C-butyl-N-phenyl-carbonimidoyl)heptylidene-phenyl-amine; 5-ethyl-2,3-dihydroxy-6-methyl-benzoate Formula: C44H54N2NiO8 MolecularWeight: 797.60156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.CCC1=CC(=C(C(=C1C)C(=O)[O-])O)O.CCC1=CC(=C(C(=C1C)C(=O)[O-])O)O.[Ni+2]

Isomeric SMILES

CCCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.CCC1=CC(=C(C(=C1C)C(=O)[O-])O)O.CCC1=CC(=C(C(=C1C)C(=O)[O-])O)O.[Ni+2]

InChI

InChI=1S/C24H32N2.2C10H12O4.Ni/c1-3-5-7-14-20-24(26-22-17-12-9-13-18-22)23(19-6-4-2)25-21-15-10-8-11-16-21;2*1-3-6-4-7(11)9(12)8(5(6)2)10(13)14;/h8-13,15-18H,3-7,14,19-20H2,1-2H3;2*4,11-12H,3H2,1-2H3,(H,13,14);/q;;;+2/p-2