N5,N6-diphenyldodecane-5,6-diimine; 6-methyl-2,3-bis(oxidanyl)benzoate; nickel(2+)

Systemtic Name: N5,N6-diphenyldodecane-5,6-diimine; 6-methyl-2,3-bis(oxidanyl)benzoate; nickel(2+) Openeye Name: nickelous; 2,3-dihydroxy-6-methyl-benzoate; N5,N6-diphenyldodecane-5,6-diimine CAS Name: 2,3-dihydroxy-6-methylbenzoate; N5,N6-diphenyldodecane-5,6-diimine; nickel(2+) IUPAC Name: 2,3-dihydroxy-6-methylbenzoate; 5-N,6-N-diphenyldodecane-5,6-diimine; nickel(2+) Traditional Name: nickelous; 1-(C-butyl-N-phenyl-carbonimidoyl)heptylidene-phenyl-amine; 2,3-dihydroxy-6-methyl-benzoate Formula: C40H46N2NiO8 MolecularWeight: 741.49524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.CC1=C(C(=C(C=C1)O)O)C(=O)[O-].CC1=C(C(=C(C=C1)O)O)C(=O)[O-].[Ni+2]

Isomeric SMILES

CCCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.CC1=C(C(=C(C=C1)O)O)C(=O)[O-].CC1=C(C(=C(C=C1)O)O)C(=O)[O-].[Ni+2]

InChI

InChI=1S/C24H32N2.2C8H8O4.Ni/c1-3-5-7-14-20-24(26-22-17-12-9-13-18-22)23(19-6-4-2)25-21-15-10-8-11-16-21;2*1-4-2-3-5(9)7(10)6(4)8(11)12;/h8-13,15-18H,3-7,14,19-20H2,1-2H3;2*2-3,9-10H,1H3,(H,11,12);/q;;;+2/p-2