N1,N2-bis(3,5-dipentylphenyl)hexane-1,2-diimine; 4-bromanyl-3,5-dibutyl-benzene-1,2-diol; nickel

Systemtic Name: N1,N2-bis(3,5-dipentylphenyl)hexane-1,2-diimine; 4-bromanyl-3,5-dibutyl-benzene-1,2-diol; nickel Openeye Name: N1,N2-bis(3,5-dipentylphenyl)hexane-1,2-diimine; 4-bromo-3,5-dibutyl-benzene-1,2-diol; nickel CAS Name: N1,N2-bis(3,5-dipentylphenyl)hexane-1,2-diimine; 4-bromo-3,5-dibutylbenzene-1,2-diol; nickel IUPAC Name: 1-N,2-N-bis(3,5-dipentylphenyl)hexane-1,2-diimine; 4-bromo-3,5-dibutylbenzene-1,2-diol; nickel Traditional Name: 4-bromo-3,5-dibutyl-pyrocatechol; (3,5-diamylphenyl)-[2-(3,5-diamylphenyl)iminohexylidene]amine; nickel Formula: C52H81BrN2NiO2 MolecularWeight: 904.80914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=CC(=C1)N=CC(=NC2=CC(=CC(=C2)CCCCC)CCCCC)CCCC)CCCCC.CCCCC1=CC(=C(C(=C1Br)CCCC)O)O.[Ni]

Isomeric SMILES

CCCCCC1=CC(=CC(=C1)N=CC(=NC2=CC(=CC(=C2)CCCCC)CCCCC)CCCC)CCCCC.CCCCC1=CC(=C(C(=C1Br)CCCC)O)O.[Ni]

InChI

InChI=1S/C38H60N2.C14H21BrO2.Ni/c1-6-11-16-20-32-25-33(21-17-12-7-2)28-37(27-32)39-31-36(24-15-10-5)40-38-29-34(22-18-13-8-3)26-35(30-38)23-19-14-9-4;1-3-5-7-10-9-12(16)14(17)11(13(10)15)8-6-4-2;/h25-31H,6-24H2,1-5H3;9,16-17H,3-8H2,1-2H3;