2-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxybenzoate; nickel(2+)

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxybenzoate; nickel(2+) Openeye Name: nickelous 2-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxybenzoate CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethoxy]benzoate; nickel(2+) IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxybenzoyl)oxybenzoate; nickel(2+) Traditional Name: nickelous 2-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxybenzoate Formula: C44H50NiO10 MolecularWeight: 797.5552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=CC=CC=C2C(=O)[O-].CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=CC=CC=C2C(=O)[O-].[Ni+2]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=CC=CC=C2C(=O)[O-].CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=CC=CC=C2C(=O)[O-].[Ni+2]

InChI

InChI=1S/2C22H26O5.Ni/c2*1-21(2,3)15-11-13(12-16(18(15)23)22(4,5)6)20(26)27-17-10-8-7-9-14(17)19(24)25;/h2*7-12,23H,1-6H3,(H,24,25);/q;;+2/p-2