2-methylpropylaluminum(2+); (E)-3-phenylprop-2-enoate

Systemtic Name: 2-methylpropylaluminum(2+); (E)-3-phenylprop-2-enoate Openeye Name: isobutylaluminum(2+); (E)-3-phenylprop-2-enoate CAS Name: 2-methylpropylaluminum(2+); (E)-3-phenyl-2-propenoate IUPAC Name: 2-methylpropylaluminum(2+); (E)-3-phenylprop-2-enoate Traditional Name: isobutylaluminum(2+); (E)-3-phenylacrylate Formula: C22H23AlO4 MolecularWeight: 378.397158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[Al+2].C1=CC=C(C=C1)C=CC(=O)[O-].C1=CC=C(C=C1)C=CC(=O)[O-]

Isomeric SMILES

CC(C[Al+2])C.C1=CC=C(C=C1)/C=C/C(=O)[O-].C1=CC=C(C=C1)/C=C/C(=O)[O-]

InChI

InChI=1S/2C9H8O2.C4H9.Al/c2*10-9(11)7-6-8-4-2-1-3-5-8;1-4(2)3;/h2*1-7H,(H,10,11);4H,1H2,2-3H3;/q;;;+2/p-2/b2*7-6+;;