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

Systemtic Name: 2-butyl-3-methyl-5,6-bis(oxidanyl)benzoate; N5,N6-diphenyldecane-5,6-diimine; nickel(2+) Openeye Name: nickelous; 2-butyl-5,6-dihydroxy-3-methyl-benzoate; N5,N6-diphenyldecane-5,6-diimine CAS Name: 2-butyl-5,6-dihydroxy-3-methylbenzoate; N5,N6-diphenyldecane-5,6-diimine; nickel(2+) IUPAC Name: 2-butyl-5,6-dihydroxy-3-methylbenzoate; 5-N,6-N-diphenyldecane-5,6-diimine; nickel(2+) Traditional Name: nickelous; 2-butyl-5,6-dihydroxy-3-methyl-benzoate; (1-butyl-2-phenylimino-hexylidene)-phenyl-amine Formula: C46H58N2NiO8 MolecularWeight: 825.65472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1C)O)O)C(=O)[O-].CCCCC1=C(C(=C(C=C1C)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=C1C)O)O)C(=O)[O-].CCCCC1=C(C(=C(C=C1C)O)O)C(=O)[O-].CCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.[Ni+2]

InChI

InChI=1S/C22H28N2.2C12H16O4.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*1-3-4-5-8-7(2)6-9(13)11(14)10(8)12(15)16;/h7-16H,3-6,17-18H2,1-2H3;2*6,13-14H,3-5H2,1-2H3,(H,15,16);/q;;;+2/p-2