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

Systemtic Name: N5,N6-diphenyldodecane-5,6-diimine; 5-ethyl-2,3-bis(oxidanyl)-6-propyl-benzoate; nickel(2+) Openeye Name: nickelous; N5,N6-diphenyldodecane-5,6-diimine; 5-ethyl-2,3-dihydroxy-6-propyl-benzoate CAS Name: N5,N6-diphenyldodecane-5,6-diimine; 5-ethyl-2,3-dihydroxy-6-propylbenzoate; nickel(2+) IUPAC Name: 5-N,6-N-diphenyldodecane-5,6-diimine; 5-ethyl-2,3-dihydroxy-6-propylbenzoate; nickel(2+) Traditional Name: nickelous; 1-(C-butyl-N-phenyl-carbonimidoyl)heptylidene-phenyl-amine; 5-ethyl-2,3-dihydroxy-6-propyl-benzoate Formula: C48H62N2NiO8 MolecularWeight: 853.70788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.CCCC1=C(C(=C(C=C1CC)O)O)C(=O)[O-].CCCC1=C(C(=C(C=C1CC)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=C1CC)O)O)C(=O)[O-].CCCC1=C(C(=C(C=C1CC)O)O)C(=O)[O-].[Ni+2]

InChI

InChI=1S/C24H32N2.2C12H16O4.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*1-3-5-8-7(4-2)6-9(13)11(14)10(8)12(15)16;/h8-13,15-18H,3-7,14,19-20H2,1-2H3;2*6,13-14H,3-5H2,1-2H3,(H,15,16);/q;;;+2/p-2