(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-triacontoxy-phosphinate; nickel(2+)

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-triacontoxy-phosphinate; nickel(2+) Openeye Name: nickelous (3,5-ditert-butyl-4-hydroxy-phenyl)methyl-triacontoxy-phosphinate CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)methyl-triacontoxyphosphinate; nickel(2+) IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)methyl-triacontoxyphosphinate; nickel(2+) Traditional Name: nickelous (3,5-ditert-butyl-4-hydroxy-benzyl)-melissyloxy-phosphinate Formula: C90H168NiO8P2 MolecularWeight: 1498.933042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)[O-].CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)[O-].[Ni+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)[O-].CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)[O-].[Ni+2]

InChI

InChI=1S/2C45H85O4P.Ni/c2*1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-49-50(47,48)39-40-37-41(44(2,3)4)43(46)42(38-40)45(5,6)7;/h2*37-38,46H,8-36,39H2,1-7H3,(H,47,48);/q;;+2/p-2