N2,N3-diphenylpentane-2,3-diimine; 2-methyl-5,6-bis(oxidanyl)-3-pentyl-benzoate; nickel(2+)

Systemtic Name: N2,N3-diphenylpentane-2,3-diimine; 2-methyl-5,6-bis(oxidanyl)-3-pentyl-benzoate; nickel(2+) Openeye Name: nickelous; 2,3-dihydroxy-6-methyl-5-pentyl-benzoate; N2,N3-diphenylpentane-2,3-diimine CAS Name: 2,3-dihydroxy-6-methyl-5-pentylbenzoate; N2,N3-diphenylpentane-2,3-diimine; nickel(2+) IUPAC Name: 2,3-dihydroxy-6-methyl-5-pentylbenzoate; 2-N,3-N-diphenylpentane-2,3-diimine; nickel(2+) Traditional Name: nickelous; 5-amyl-2,3-dihydroxy-6-methyl-benzoate; (1-ethyl-2-phenylimino-propylidene)-phenyl-amine Formula: C43H52N2NiO8 MolecularWeight: 783.57498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1C)C(=O)[O-])O)O.CCCCCC1=CC(=C(C(=C1C)C(=O)[O-])O)O.CCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)C.[Ni+2]

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1C)C(=O)[O-])O)O.CCCCCC1=CC(=C(C(=C1C)C(=O)[O-])O)O.CCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)C.[Ni+2]

InChI

InChI=1S/C17H18N2.2C13H18O4.Ni/c1-3-17(19-16-12-8-5-9-13-16)14(2)18-15-10-6-4-7-11-15;2*1-3-4-5-6-9-7-10(14)12(15)11(8(9)2)13(16)17;/h4-13H,3H2,1-2H3;2*7,14-15H,3-6H2,1-2H3,(H,16,17);/q;;;+2/p-2