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

Systemtic Name: 2-butyl-5,6-bis(oxidanyl)-3-propyl-benzoate; N5,N6-diphenyldecane-5,6-diimine; nickel(2+) Openeye Name: nickelous; 2-butyl-5,6-dihydroxy-3-propyl-benzoate; N5,N6-diphenyldecane-5,6-diimine CAS Name: 2-butyl-5,6-dihydroxy-3-propylbenzoate; N5,N6-diphenyldecane-5,6-diimine; nickel(2+) IUPAC Name: 2-butyl-5,6-dihydroxy-3-propylbenzoate; 5-N,6-N-diphenyldecane-5,6-diimine; nickel(2+) Traditional Name: nickelous; 2-butyl-5,6-dihydroxy-3-propyl-benzoate; (1-butyl-2-phenylimino-hexylidene)-phenyl-amine Formula: C50H66N2NiO8 MolecularWeight: 881.76104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1CCC)O)O)C(=O)[O-].CCCCC1=C(C(=C(C=C1CCC)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=C1CCC)O)O)C(=O)[O-].CCCCC1=C(C(=C(C=C1CCC)O)O)C(=O)[O-].CCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.[Ni+2]

InChI

InChI=1S/C22H28N2.2C14H20O4.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*1-3-5-7-10-9(6-4-2)8-11(15)13(16)12(10)14(17)18;/h7-16H,3-6,17-18H2,1-2H3;2*8,15-16H,3-7H2,1-2H3,(H,17,18);/q;;;+2/p-2