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

Systemtic Name: 6-butyl-2,3-bis(oxidanyl)benzoate; N5,N6-diphenylhexatriacontane-5,6-diimine; nickel(2+) Openeye Name: nickelous; 6-butyl-2,3-dihydroxy-benzoate; N5,N6-diphenylhexatriacontane-5,6-diimine CAS Name: 6-butyl-2,3-dihydroxybenzoate; N5,N6-diphenylhexatriacontane-5,6-diimine; nickel(2+) IUPAC Name: 6-butyl-2,3-dihydroxybenzoate; 5-N,6-N-diphenylhexatriacontane-5,6-diimine; nickel(2+) Traditional Name: nickelous; 6-butyl-2,3-dihydroxy-benzoate; 1-(C-butyl-N-phenyl-carbonimidoyl)hentriacontylidene-phenyl-amine Formula: C70H106N2NiO8 MolecularWeight: 1162.29264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H80N2.2C11H14O4.Ni/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-38-44-48(50-46-41-36-33-37-42-46)47(43-6-4-2)49-45-39-34-32-35-40-45;2*1-2-3-4-7-5-6-8(12)10(13)9(7)11(14)15;/h32-37,39-42H,3-31,38,43-44H2,1-2H3;2*5-6,12-13H,2-4H2,1H3,(H,14,15);/q;;;+2/p-2