dialuminum 3-butyl-2,6-ditert-butyl-4-(phosphonatomethyl)phenol

Systemtic Name: dialuminum 3-butyl-2,6-ditert-butyl-4-(phosphonatomethyl)phenol Openeye Name: dialuminum 3-butyl-2,6-ditert-butyl-4-(phosphonatomethyl)phenol CAS Name: dialuminum 3-butyl-2,6-ditert-butyl-4-(phosphonatomethyl)phenol IUPAC Name: dialuminum 3-butyl-2,6-ditert-butyl-4-(phosphonatomethyl)phenol Traditional Name: dialuminum 3-butyl-2,6-ditert-butyl-4-(phosphonatomethyl)phenol Formula: C57H93Al2O12P3 MolecularWeight: 1117.225479

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.CCCCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.CCCCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.[Al+3].[Al+3]

Isomeric SMILES

CCCCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.CCCCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.CCCCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.[Al+3].[Al+3]

InChI

InChI=1S/3C19H33O4P.2Al/c3*1-8-9-10-14-13(12-24(21,22)23)11-15(18(2,3)4)17(20)16(14)19(5,6)7;;/h3*11,20H,8-10,12H2,1-7H3,(H2,21,22,23);;/q;;;2*+3/p-6