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

Systemtic Name: 6-butyl-2,3-bis(oxidanyl)benzoate; N5,N6-diphenyldecane-5,6-diimine; nickel(2+) Openeye Name: nickelous; 6-butyl-2,3-dihydroxy-benzoate; N5,N6-diphenyldecane-5,6-diimine CAS Name: 6-butyl-2,3-dihydroxybenzoate; N5,N6-diphenyldecane-5,6-diimine; nickel(2+) IUPAC Name: 6-butyl-2,3-dihydroxybenzoate; 5-N,6-N-diphenyldecane-5,6-diimine; nickel(2+) Traditional Name: nickelous; 6-butyl-2,3-dihydroxy-benzoate; (1-butyl-2-phenylimino-hexylidene)-phenyl-amine Formula: C44H54N2NiO8 MolecularWeight: 797.60156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)O)O)C(=O)[O-].CCCCC1=C(C(=C(C=C1)O)O)C(=O)[O-].CCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.[Ni+2]

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)O)O)C(=O)[O-].CCCCC1=C(C(=C(C=C1)O)O)C(=O)[O-].CCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.[Ni+2]

InChI

InChI=1S/C22H28N2.2C11H14O4.Ni/c1-3-5-17-21(23-19-13-9-7-10-14-19)22(18-6-4-2)24-20-15-11-8-12-16-20;2*1-2-3-4-7-5-6-8(12)10(13)9(7)11(14)15;/h7-16H,3-6,17-18H2,1-2H3;2*5-6,12-13H,2-4H2,1H3,(H,14,15);/q;;;+2/p-2