N3,N4-diphenylnonane-3,4-diimine; 6-ethyl-2,3-bis(oxidanyl)benzoate; nickel(2+)

Systemtic Name: N3,N4-diphenylnonane-3,4-diimine; 6-ethyl-2,3-bis(oxidanyl)benzoate; nickel(2+) Openeye Name: nickelous; N3,N4-diphenylnonane-3,4-diimine; 6-ethyl-2,3-dihydroxy-benzoate CAS Name: N3,N4-diphenylnonane-3,4-diimine; 6-ethyl-2,3-dihydroxybenzoate; nickel(2+) IUPAC Name: 3-N,4-N-diphenylnonane-3,4-diimine; 6-ethyl-2,3-dihydroxybenzoate; nickel(2+) Traditional Name: nickelous; 6-ethyl-2,3-dihydroxy-benzoate; 1-(C-ethyl-N-phenyl-carbonimidoyl)hexylidene-phenyl-amine Formula: C39H44N2NiO8 MolecularWeight: 727.46866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2.2C9H10O4.Ni/c1-3-5-8-17-21(23-19-15-11-7-12-16-19)20(4-2)22-18-13-9-6-10-14-18;2*1-2-5-3-4-6(10)8(11)7(5)9(12)13;/h6-7,9-16H,3-5,8,17H2,1-2H3;2*3-4,10-11H,2H2,1H3,(H,12,13);/q;;;+2/p-2