3-oxidanylidenebutanoic acid; tris(2-methylpropyl)alumane

Systemtic Name: 3-oxidanylidenebutanoic acid; tris(2-methylpropyl)alumane Openeye Name: 3-oxobutanoic acid; triisobutylalumane CAS Name: 3-oxobutanoic acid; tris(2-methylpropyl)alumane IUPAC Name: 3-oxobutanoic acid; tris(2-methylpropyl)alumane Traditional Name: acetoacetic acid; triisobutylalumane Formula: C16H33AlO3 MolecularWeight: 300.412958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[Al](CC(C)C)CC(C)C.CC(=O)CC(=O)O

Isomeric SMILES

CC(C)C[Al](CC(C)C)CC(C)C.CC(=O)CC(=O)O

InChI

InChI=1S/C4H6O3.3C4H9.Al/c1-3(5)2-4(6)7;3*1-4(2)3;/h2H2,1H3,(H,6,7);3*4H,1H2,2-3H3;