N2,N3-diphenylheptane-2,3-diimine; 6-ethyl-2,3-bis(oxidanyl)benzoate; nickel(2+)

Systemtic Name: N2,N3-diphenylheptane-2,3-diimine; 6-ethyl-2,3-bis(oxidanyl)benzoate; nickel(2+) Openeye Name: nickelous; N2,N3-diphenylheptane-2,3-diimine; 6-ethyl-2,3-dihydroxy-benzoate CAS Name: N2,N3-diphenylheptane-2,3-diimine; 6-ethyl-2,3-dihydroxybenzoate; nickel(2+) IUPAC Name: 2-N,3-N-diphenylheptane-2,3-diimine; 6-ethyl-2,3-dihydroxybenzoate; nickel(2+) Traditional Name: nickelous; 6-ethyl-2,3-dihydroxy-benzoate; 1-(C-methyl-N-phenyl-carbonimidoyl)pentylidene-phenyl-amine Formula: C37H40N2NiO8 MolecularWeight: 699.4155

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)C.CCC1=C(C(=C(C=C1)O)O)C(=O)[O-].CCC1=C(C(=C(C=C1)O)O)C(=O)[O-].[Ni+2]

Isomeric SMILES

CCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)C.CCC1=C(C(=C(C=C1)O)O)C(=O)[O-].CCC1=C(C(=C(C=C1)O)O)C(=O)[O-].[Ni+2]

InChI

InChI=1S/C19H22N2.2C9H10O4.Ni/c1-3-4-15-19(21-18-13-9-6-10-14-18)16(2)20-17-11-7-5-8-12-17;2*1-2-5-3-4-6(10)8(11)7(5)9(12)13;/h5-14H,3-4,15H2,1-2H3;2*3-4,10-11H,2H2,1H3,(H,12,13);/q;;;+2/p-2