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

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

CCCCCC(=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/C23H30N2.2C8H8O4.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*1-4-2-3-5(9)7(10)6(4)8(11)12;/h7-8,10-17H,3-6,9,18-19H2,1-2H3;2*2-3,9-10H,1H3,(H,11,12);/q;;;+2/p-2