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

Systemtic Name: 2,3-bis(oxidanyl)-6-pentyl-5-propyl-benzoate; N5,N6-diphenylundecane-5,6-diimine; nickel(2+) Openeye Name: nickelous; 2,3-dihydroxy-6-pentyl-5-propyl-benzoate; N5,N6-diphenylundecane-5,6-diimine CAS Name: 2,3-dihydroxy-6-pentyl-5-propylbenzoate; N5,N6-diphenylundecane-5,6-diimine; nickel(2+) IUPAC Name: 2,3-dihydroxy-6-pentyl-5-propylbenzoate; 5-N,6-N-diphenylundecane-5,6-diimine; nickel(2+) Traditional Name: nickelous; 2-amyl-5,6-dihydroxy-3-propyl-benzoate; (1-amyl-2-phenylimino-hexylidene)-phenyl-amine Formula: C53H72N2NiO8 MolecularWeight: 923.84078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1CCC)O)O)C(=O)[O-].CCCCCC1=C(C(=C(C=C1CCC)O)O)C(=O)[O-].CCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.[Ni+2]

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1CCC)O)O)C(=O)[O-].CCCCCC1=C(C(=C(C=C1CCC)O)O)C(=O)[O-].CCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.[Ni+2]

InChI

InChI=1S/C23H30N2.2C15H22O4.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*1-3-5-6-8-11-10(7-4-2)9-12(16)14(17)13(11)15(18)19;/h7-8,10-17H,3-6,9,18-19H2,1-2H3;2*9,16-17H,3-8H2,1-2H3,(H,18,19);/q;;;+2/p-2