2,3-bis(oxidanyl)-6-propyl-benzoate; N2,N3-diphenylnonane-2,3-diimine; nickel(2+)

Systemtic Name: 2,3-bis(oxidanyl)-6-propyl-benzoate; N2,N3-diphenylnonane-2,3-diimine; nickel(2+) Openeye Name: nickelous; 2,3-dihydroxy-6-propyl-benzoate; N2,N3-diphenylnonane-2,3-diimine CAS Name: 2,3-dihydroxy-6-propylbenzoate; N2,N3-diphenylnonane-2,3-diimine; nickel(2+) IUPAC Name: 2,3-dihydroxy-6-propylbenzoate; 2-N,3-N-diphenylnonane-2,3-diimine; nickel(2+) Traditional Name: nickelous; 2,3-dihydroxy-6-propyl-benzoate; 1-(C-methyl-N-phenyl-carbonimidoyl)heptylidene-phenyl-amine Formula: C41H48N2NiO8 MolecularWeight: 755.52182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)C.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)C.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/C21H26N2.2C10H12O4.Ni/c1-3-4-5-12-17-21(23-20-15-10-7-11-16-20)18(2)22-19-13-8-6-9-14-19;2*1-2-3-6-4-5-7(11)9(12)8(6)10(13)14;/h6-11,13-16H,3-5,12,17H2,1-2H3;2*4-5,11-12H,2-3H2,1H3,(H,13,14);/q;;;+2/p-2