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

Systemtic Name: 2,3-bis(oxidanyl)-6-pentyl-benzoate; N5,N6-diphenyldodecane-5,6-diimine; nickel(2+) Openeye Name: nickelous; 2,3-dihydroxy-6-pentyl-benzoate; N5,N6-diphenyldodecane-5,6-diimine CAS Name: 2,3-dihydroxy-6-pentylbenzoate; N5,N6-diphenyldodecane-5,6-diimine; nickel(2+) IUPAC Name: 2,3-dihydroxy-6-pentylbenzoate; 5-N,6-N-diphenyldodecane-5,6-diimine; nickel(2+) Traditional Name: nickelous; 6-amyl-2,3-dihydroxy-benzoate; 1-(C-butyl-N-phenyl-carbonimidoyl)heptylidene-phenyl-amine Formula: C48H62N2NiO8 MolecularWeight: 853.70788

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H32N2.2C12H16O4.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*1-2-3-4-5-8-6-7-9(13)11(14)10(8)12(15)16;/h8-13,15-18H,3-7,14,19-20H2,1-2H3;2*6-7,13-14H,2-5H2,1H3,(H,15,16);/q;;;+2/p-2