butoxy-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]phosphinate; nickel(2+); sulfate

Systemtic Name: butoxy-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]phosphinate; nickel(2+); sulfate Openeye Name: dinickelous butoxy-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]phosphinate sulfate CAS Name: butoxy-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phosphinate; nickel(2+); sulfate IUPAC Name: butoxy-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phosphinate; nickel(2+); sulfate Traditional Name: dinickelous butoxy-(3,5-ditert-butyl-4-hydroxy-benzyl)phosphinate sulfate Formula: C38H64Ni2O12P2S MolecularWeight: 924.306882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C19H33O4P.2Ni.H2O4S/c2*1-8-9-10-23-24(21,22)13-14-11-15(18(2,3)4)17(20)16(12-14)19(5,6)7;;;1-5(2,3)4/h2*11-12,20H,8-10,13H2,1-7H3,(H,21,22);;;(H2,1,2,3,4)/q;;2*+2;/p-4