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

Systemtic Name: 2,3-bis(oxidanyl)-6-propyl-benzoate; N5,N6-diphenyldodecane-5,6-diimine; nickel(2+) Openeye Name: nickelous; 2,3-dihydroxy-6-propyl-benzoate; N5,N6-diphenyldodecane-5,6-diimine CAS Name: 2,3-dihydroxy-6-propylbenzoate; N5,N6-diphenyldodecane-5,6-diimine; nickel(2+) IUPAC Name: 2,3-dihydroxy-6-propylbenzoate; 5-N,6-N-diphenyldodecane-5,6-diimine; nickel(2+) Traditional Name: nickelous; 1-(C-butyl-N-phenyl-carbonimidoyl)heptylidene-phenyl-amine; 2,3-dihydroxy-6-propyl-benzoate Formula: C44H54N2NiO8 MolecularWeight: 797.60156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.CCCC1=C(C(=C(C=C1)O)O)C(=O)[O-].CCCC1=C(C(=C(C=C1)O)O)C(=O)[O-].[Ni+2]

Isomeric SMILES

CCCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.CCCC1=C(C(=C(C=C1)O)O)C(=O)[O-].CCCC1=C(C(=C(C=C1)O)O)C(=O)[O-].[Ni+2]

InChI

InChI=1S/C24H32N2.2C10H12O4.Ni/c1-3-5-7-14-20-24(26-22-17-12-9-13-18-22)23(19-6-4-2)25-21-15-10-8-11-16-21;2*1-2-3-6-4-5-7(11)9(12)8(6)10(13)14;/h8-13,15-18H,3-7,14,19-20H2,1-2H3;2*4-5,11-12H,2-3H2,1H3,(H,13,14);/q;;;+2/p-2