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aluminum 3,5-dibutyl-2-oxidanyl-benzoate

aluminum 3,5-dibutyl-2-oxidanyl-benzoate

Systemtic Name:aluminum 3,5-dibutyl-2-oxidanyl-benzoate
Openeye Name:aluminum 3,5-dibutyl-2-hydroxy-benzoate
CAS Name:aluminum 3,5-dibutyl-2-hydroxybenzoate
IUPAC Name:aluminum 3,5-dibutyl-2-hydroxybenzoate
Traditional Name:aluminum 3,5-dibutyl-2-hydroxy-benzoate
Formula: C45H63AlO9
MolecularWeight: 774.957858
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C(=C1)C(=O)[O-])O)CCCC.CCCCC1=CC(=C(C(=C1)C(=O)[O-])O)CCCC.CCCCC1=CC(=C(C(=C1)C(=O)[O-])O)CCCC.[Al+3]


Isomeric SMILES

CCCCC1=CC(=C(C(=C1)C(=O)[O-])O)CCCC.CCCCC1=CC(=C(C(=C1)C(=O)[O-])O)CCCC.CCCCC1=CC(=C(C(=C1)C(=O)[O-])O)CCCC.[Al+3]


InChI

InChI=1S/3C15H22O3.Al/c3*1-3-5-7-11-9-12(8-6-4-2)14(16)13(10-11)15(17)18;/h3*9-10,16H,3-8H2,1-2H3,(H,17,18);/q;;;+3/p-3


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