N4,N5-diphenylundecane-4,5-diimine; 5-methyl-2,3-bis(oxidanyl)-6-propyl-benzoate; nickel(2+)

Systemtic Name: N4,N5-diphenylundecane-4,5-diimine; 5-methyl-2,3-bis(oxidanyl)-6-propyl-benzoate; nickel(2+) Openeye Name: nickelous; 2,3-dihydroxy-5-methyl-6-propyl-benzoate; N4,N5-diphenylundecane-4,5-diimine CAS Name: 2,3-dihydroxy-5-methyl-6-propylbenzoate; N4,N5-diphenylundecane-4,5-diimine; nickel(2+) IUPAC Name: 2,3-dihydroxy-5-methyl-6-propylbenzoate; 4-N,5-N-diphenylundecane-4,5-diimine; nickel(2+) Traditional Name: nickelous; 2,3-dihydroxy-5-methyl-6-propyl-benzoate; phenyl-(2-phenylimino-1-propyl-octylidene)amine Formula: C45H56N2NiO8 MolecularWeight: 811.62814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCC.CCCC1=C(C(=C(C=C1C)O)O)C(=O)[O-].CCCC1=C(C(=C(C=C1C)O)O)C(=O)[O-].[Ni+2]

Isomeric SMILES

CCCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCC.CCCC1=C(C(=C(C=C1C)O)O)C(=O)[O-].CCCC1=C(C(=C(C=C1C)O)O)C(=O)[O-].[Ni+2]

InChI

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