N6,N7-diphenyldodecane-6,7-diimine; 2-methyl-5,6-bis(oxidanyl)-3-pentyl-benzoate; nickel(2+)

Systemtic Name: N6,N7-diphenyldodecane-6,7-diimine; 2-methyl-5,6-bis(oxidanyl)-3-pentyl-benzoate; nickel(2+) Openeye Name: nickelous; 2,3-dihydroxy-6-methyl-5-pentyl-benzoate; N6,N7-diphenyldodecane-6,7-diimine CAS Name: 2,3-dihydroxy-6-methyl-5-pentylbenzoate; N6,N7-diphenyldodecane-6,7-diimine; nickel(2+) IUPAC Name: 2,3-dihydroxy-6-methyl-5-pentylbenzoate; 6-N,7-N-diphenyldodecane-6,7-diimine; nickel(2+) Traditional Name: nickelous; 5-amyl-2,3-dihydroxy-6-methyl-benzoate; (1-amyl-2-phenylimino-heptylidene)-phenyl-amine Formula: C50H66N2NiO8 MolecularWeight: 881.76104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1C)C(=O)[O-])O)O.CCCCCC1=CC(=C(C(=C1C)C(=O)[O-])O)O.CCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCCC.[Ni+2]

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1C)C(=O)[O-])O)O.CCCCCC1=CC(=C(C(=C1C)C(=O)[O-])O)O.CCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCCC.[Ni+2]

InChI

InChI=1S/C24H32N2.2C13H18O4.Ni/c1-3-5-9-19-23(25-21-15-11-7-12-16-21)24(20-10-6-4-2)26-22-17-13-8-14-18-22;2*1-3-4-5-6-9-7-10(14)12(15)11(8(9)2)13(16)17;/h7-8,11-18H,3-6,9-10,19-20H2,1-2H3;2*7,14-15H,3-6H2,1-2H3,(H,16,17);/q;;;+2/p-2