aluminum butoxy-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]phosphinate

Systemtic Name: aluminum butoxy-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]phosphinate Openeye Name: aluminum butoxy-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]phosphinate CAS Name: aluminum butoxy-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phosphinate IUPAC Name: aluminum butoxy-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phosphinate Traditional Name: aluminum butoxy-(3,5-ditert-butyl-4-hydroxy-benzyl)phosphinate Formula: C57H96AlO12P3 MolecularWeight: 1093.267761

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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-].CCCCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)[O-].[Al+3]

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-].CCCCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)[O-].[Al+3]

InChI

InChI=1S/3C19H33O4P.Al/c3*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;/h3*11-12,20H,8-10,13H2,1-7H3,(H,21,22);/q;;;+3/p-3