2,3-bis(oxidanyl)-6-pentyl-benzoate; N6,N7-diphenylpentadecane-6,7-diimine; nickel(2+)

Systemtic Name: 2,3-bis(oxidanyl)-6-pentyl-benzoate; N6,N7-diphenylpentadecane-6,7-diimine; nickel(2+) Openeye Name: nickelous; 2,3-dihydroxy-6-pentyl-benzoate; N6,N7-diphenylpentadecane-6,7-diimine CAS Name: 2,3-dihydroxy-6-pentylbenzoate; N6,N7-diphenylpentadecane-6,7-diimine; nickel(2+) IUPAC Name: 2,3-dihydroxy-6-pentylbenzoate; 6-N,7-N-diphenylpentadecane-6,7-diimine; nickel(2+) Traditional Name: nickelous; 6-amyl-2,3-dihydroxy-benzoate; 1-(C-amyl-N-phenyl-carbonimidoyl)nonylidene-phenyl-amine Formula: C51H68N2NiO8 MolecularWeight: 895.78762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCCC.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

CCCCCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCCC.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/C27H38N2.2C12H16O4.Ni/c1-3-5-7-8-9-17-23-27(29-25-20-15-11-16-21-25)26(22-12-6-4-2)28-24-18-13-10-14-19-24;2*1-2-3-4-5-8-6-7-9(13)11(14)10(8)12(15)16;/h10-11,13-16,18-21H,3-9,12,17,22-23H2,1-2H3;2*6-7,13-14H,2-5H2,1H3,(H,15,16);/q;;;+2/p-2