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

Systemtic Name: 6-butyl-2,3-bis(oxidanyl)benzoate; N5,N6-diphenylundecane-5,6-diimine; nickel(2+) Openeye Name: nickelous; 6-butyl-2,3-dihydroxy-benzoate; N5,N6-diphenylundecane-5,6-diimine CAS Name: 6-butyl-2,3-dihydroxybenzoate; N5,N6-diphenylundecane-5,6-diimine; nickel(2+) IUPAC Name: 6-butyl-2,3-dihydroxybenzoate; 5-N,6-N-diphenylundecane-5,6-diimine; nickel(2+) Traditional Name: nickelous; (1-amyl-2-phenylimino-hexylidene)-phenyl-amine; 6-butyl-2,3-dihydroxy-benzoate Formula: C45H56N2NiO8 MolecularWeight: 811.62814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.CCCCC1=C(C(=C(C=C1)O)O)C(=O)[O-].CCCCC1=C(C(=C(C=C1)O)O)C(=O)[O-].[Ni+2]

Isomeric SMILES

CCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.CCCCC1=C(C(=C(C=C1)O)O)C(=O)[O-].CCCCC1=C(C(=C(C=C1)O)O)C(=O)[O-].[Ni+2]

InChI

InChI=1S/C23H30N2.2C11H14O4.Ni/c1-3-5-9-19-23(25-21-16-12-8-13-17-21)22(18-6-4-2)24-20-14-10-7-11-15-20;2*1-2-3-4-7-5-6-8(12)10(13)9(7)11(14)15;/h7-8,10-17H,3-6,9,18-19H2,1-2H3;2*5-6,12-13H,2-4H2,1H3,(H,14,15);/q;;;+2/p-2