dialuminum; 2-ethylhexanoate; prop-2-enoate

Systemtic Name: dialuminum; 2-ethylhexanoate; prop-2-enoate Openeye Name: dialuminum; 2-ethylhexanoate; prop-2-enoate CAS Name: dialuminum; 2-ethylhexanoate; 2-propenoate IUPAC Name: dialuminum; 2-ethylhexanoate; prop-2-enoate Traditional Name: dialuminum; acrylate; 2-ethylhexanoate Formula: C33H54Al2O12 MolecularWeight: 696.737736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].[Al+3].[Al+3]

Isomeric SMILES

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].[Al+3].[Al+3]

InChI

InChI=1S/3C8H16O2.3C3H4O2.2Al/c3*1-3-5-6-7(4-2)8(9)10;3*1-2-3(4)5;;/h3*7H,3-6H2,1-2H3,(H,9,10);3*2H,1H2,(H,4,5);;/q;;;;;;2*+3/p-6