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

Systemtic Name: 2,3-bis(oxidanyl)-6-propyl-benzoate; N3,N4-diphenyloctane-3,4-diimine; nickel(2+) Openeye Name: nickelous; 2,3-dihydroxy-6-propyl-benzoate; N3,N4-diphenyloctane-3,4-diimine CAS Name: 2,3-dihydroxy-6-propylbenzoate; N3,N4-diphenyloctane-3,4-diimine; nickel(2+) IUPAC Name: 2,3-dihydroxy-6-propylbenzoate; 3-N,4-N-diphenyloctane-3,4-diimine; nickel(2+) Traditional Name: nickelous; 2,3-dihydroxy-6-propyl-benzoate; 1-(C-ethyl-N-phenyl-carbonimidoyl)pentylidene-phenyl-amine Formula: C40H46N2NiO8 MolecularWeight: 741.49524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CC.CCCC1=C(C(=C(C=C1)O)O)C(=O)[O-].CCCC1=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.CCCC1=C(C(=C(C=C1)O)O)C(=O)[O-].CCCC1=C(C(=C(C=C1)O)O)C(=O)[O-].[Ni+2]

InChI

InChI=1S/C20H24N2.2C10H12O4.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*1-2-3-6-4-5-7(11)9(12)8(6)10(13)14;/h6-15H,3-5,16H2,1-2H3;2*4-5,11-12H,2-3H2,1H3,(H,13,14);/q;;;+2/p-2