N6,N7-diphenyltritriacontane-6,7-diimine; 6-ethyl-2,3-bis(oxidanyl)benzoate; nickel(2+)

Systemtic Name: N6,N7-diphenyltritriacontane-6,7-diimine; 6-ethyl-2,3-bis(oxidanyl)benzoate; nickel(2+) Openeye Name: nickelous; N6,N7-diphenyltritriacontane-6,7-diimine; 6-ethyl-2,3-dihydroxy-benzoate CAS Name: N6,N7-diphenyltritriacontane-6,7-diimine; 6-ethyl-2,3-dihydroxybenzoate; nickel(2+) IUPAC Name: 6-N,7-N-diphenyltritriacontane-6,7-diimine; 6-ethyl-2,3-dihydroxybenzoate; nickel(2+) Traditional Name: nickelous; 1-(C-amyl-N-phenyl-carbonimidoyl)heptacosylidene-phenyl-amine; 6-ethyl-2,3-dihydroxy-benzoate Formula: C63H92N2NiO8 MolecularWeight: 1064.10658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCCC.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

CCCCCCCCCCCCCCCCCCCCCCCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCCC.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/C45H74N2.2C9H10O4.Ni/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-35-41-45(47-43-38-33-29-34-39-43)44(40-30-6-4-2)46-42-36-31-28-32-37-42;2*1-2-5-3-4-6(10)8(11)7(5)9(12)13;/h28-29,31-34,36-39H,3-27,30,35,40-41H2,1-2H3;2*3-4,10-11H,2H2,1H3,(H,12,13);/q;;;+2/p-2