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

Systemtic Name: N5,N6-diphenyltetradecane-5,6-diimine; 6-methyl-2,3-bis(oxidanyl)benzoate; nickel(2+) Openeye Name: nickelous; 2,3-dihydroxy-6-methyl-benzoate; N5,N6-diphenyltetradecane-5,6-diimine CAS Name: 2,3-dihydroxy-6-methylbenzoate; N5,N6-diphenyltetradecane-5,6-diimine; nickel(2+) IUPAC Name: 2,3-dihydroxy-6-methylbenzoate; 5-N,6-N-diphenyltetradecane-5,6-diimine; nickel(2+) Traditional Name: nickelous; 1-(C-butyl-N-phenyl-carbonimidoyl)nonylidene-phenyl-amine; 2,3-dihydroxy-6-methyl-benzoate Formula: C42H50N2NiO8 MolecularWeight: 769.5484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.CC1=C(C(=C(C=C1)O)O)C(=O)[O-].CC1=C(C(=C(C=C1)O)O)C(=O)[O-].[Ni+2]

Isomeric SMILES

CCCCCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.CC1=C(C(=C(C=C1)O)O)C(=O)[O-].CC1=C(C(=C(C=C1)O)O)C(=O)[O-].[Ni+2]

InChI

InChI=1S/C26H36N2.2C8H8O4.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*1-4-2-3-5(9)7(10)6(4)8(11)12;/h10-15,17-20H,3-9,16,21-22H2,1-2H3;2*2-3,9-10H,1H3,(H,11,12);/q;;;+2/p-2