2,3-bis(oxidanyl)-6-pentyl-benzoate; N7,N8-diphenylicosane-7,8-diimine; nickel(2+)

Systemtic Name: 2,3-bis(oxidanyl)-6-pentyl-benzoate; N7,N8-diphenylicosane-7,8-diimine; nickel(2+) Openeye Name: nickelous; 2,3-dihydroxy-6-pentyl-benzoate; N7,N8-diphenylicosane-7,8-diimine CAS Name: 2,3-dihydroxy-6-pentylbenzoate; N7,N8-diphenyleicosane-7,8-diimine; nickel(2+) IUPAC Name: 2,3-dihydroxy-6-pentylbenzoate; 7-N,8-N-diphenylicosane-7,8-diimine; nickel(2+) Traditional Name: nickelous; 6-amyl-2,3-dihydroxy-benzoate; 1-(C-hexyl-N-phenyl-carbonimidoyl)tridecylidene-phenyl-amine Formula: C56H78N2NiO8 MolecularWeight: 965.92052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCCCC.CCCCCC1=C(C(=C(C=C1)O)O)C(=O)[O-].CCCCCC1=C(C(=C(C=C1)O)O)C(=O)[O-].[Ni+2]

Isomeric SMILES

CCCCCCCCCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCCCC.CCCCCC1=C(C(=C(C=C1)O)O)C(=O)[O-].CCCCCC1=C(C(=C(C=C1)O)O)C(=O)[O-].[Ni+2]

InChI

InChI=1S/C32H48N2.2C12H16O4.Ni/c1-3-5-7-9-10-11-12-13-14-22-28-32(34-30-25-19-16-20-26-30)31(27-21-8-6-4-2)33-29-23-17-15-18-24-29;2*1-2-3-4-5-8-6-7-9(13)11(14)10(8)12(15)16;/h15-20,23-26H,3-14,21-22,27-28H2,1-2H3;2*6-7,13-14H,2-5H2,1H3,(H,15,16);/q;;;+2/p-2