2-butyl-5,6-bis(oxidanyl)-3-pentyl-benzoate; N5,N6-diphenylundecane-5,6-diimine; nickel(2+)

Systemtic Name: 2-butyl-5,6-bis(oxidanyl)-3-pentyl-benzoate; N5,N6-diphenylundecane-5,6-diimine; nickel(2+) Openeye Name: nickelous; 2-butyl-5,6-dihydroxy-3-pentyl-benzoate; N5,N6-diphenylundecane-5,6-diimine CAS Name: 2-butyl-5,6-dihydroxy-3-pentylbenzoate; N5,N6-diphenylundecane-5,6-diimine; nickel(2+) IUPAC Name: 2-butyl-5,6-dihydroxy-3-pentylbenzoate; 5-N,6-N-diphenylundecane-5,6-diimine; nickel(2+) Traditional Name: nickelous; 3-amyl-2-butyl-5,6-dihydroxy-benzoate; (1-amyl-2-phenylimino-hexylidene)-phenyl-amine Formula: C55H76N2NiO8 MolecularWeight: 951.89394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1CCCC)C(=O)[O-])O)O.CCCCCC1=CC(=C(C(=C1CCCC)C(=O)[O-])O)O.CCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.[Ni+2]

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1CCCC)C(=O)[O-])O)O.CCCCCC1=CC(=C(C(=C1CCCC)C(=O)[O-])O)O.CCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.[Ni+2]

InChI

InChI=1S/C23H30N2.2C16H24O4.Ni/c1-3-5-9-19-23(25-21-16-12-8-13-17-21)22(18-6-4-2)24-20-14-10-7-11-15-20;2*1-3-5-7-8-11-10-13(17)15(18)14(16(19)20)12(11)9-6-4-2;/h7-8,10-17H,3-6,9,18-19H2,1-2H3;2*10,17-18H,3-9H2,1-2H3,(H,19,20);/q;;;+2/p-2