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

Systemtic Name: 3-butyl-2-ethyl-5,6-bis(oxidanyl)benzoate; N5,N6-diphenyldecane-5,6-diimine; nickel(2+) Openeye Name: nickelous; 3-butyl-2-ethyl-5,6-dihydroxy-benzoate; N5,N6-diphenyldecane-5,6-diimine CAS Name: 3-butyl-2-ethyl-5,6-dihydroxybenzoate; N5,N6-diphenyldecane-5,6-diimine; nickel(2+) IUPAC Name: 3-butyl-2-ethyl-5,6-dihydroxybenzoate; 5-N,6-N-diphenyldecane-5,6-diimine; nickel(2+) Traditional Name: nickelous; 3-butyl-2-ethyl-5,6-dihydroxy-benzoate; (1-butyl-2-phenylimino-hexylidene)-phenyl-amine Formula: C48H62N2NiO8 MolecularWeight: 853.70788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C(=C1CC)C(=O)[O-])O)O.CCCCC1=CC(=C(C(=C1CC)C(=O)[O-])O)O.CCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.[Ni+2]

Isomeric SMILES

CCCCC1=CC(=C(C(=C1CC)C(=O)[O-])O)O.CCCCC1=CC(=C(C(=C1CC)C(=O)[O-])O)O.CCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.[Ni+2]

InChI

InChI=1S/C22H28N2.2C13H18O4.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*1-3-5-6-8-7-10(14)12(15)11(13(16)17)9(8)4-2;/h7-16H,3-6,17-18H2,1-2H3;2*7,14-15H,3-6H2,1-2H3,(H,16,17);/q;;;+2/p-2