N3,N4-diphenyloctane-3,4-diimine; 6-ethyl-2,3-bis(oxidanyl)benzoate; nickel(2+)

Systemtic Name: N3,N4-diphenyloctane-3,4-diimine; 6-ethyl-2,3-bis(oxidanyl)benzoate; nickel(2+) Openeye Name: nickelous; N3,N4-diphenyloctane-3,4-diimine; 6-ethyl-2,3-dihydroxy-benzoate CAS Name: N3,N4-diphenyloctane-3,4-diimine; 6-ethyl-2,3-dihydroxybenzoate; nickel(2+) IUPAC Name: 3-N,4-N-diphenyloctane-3,4-diimine; 6-ethyl-2,3-dihydroxybenzoate; nickel(2+) Traditional Name: nickelous; 6-ethyl-2,3-dihydroxy-benzoate; 1-(C-ethyl-N-phenyl-carbonimidoyl)pentylidene-phenyl-amine Formula: C38H42N2NiO8 MolecularWeight: 713.44208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CC.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)CC.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/C20H24N2.2C9H10O4.Ni/c1-3-5-16-20(22-18-14-10-7-11-15-18)19(4-2)21-17-12-8-6-9-13-17;2*1-2-5-3-4-6(10)8(11)7(5)9(12)13;/h6-15H,3-5,16H2,1-2H3;2*3-4,10-11H,2H2,1H3,(H,12,13);/q;;;+2/p-2