ethanol; 4-methylpentan-2-one; 2-methylpropanal

Systemtic Name: ethanol; 4-methylpentan-2-one; 2-methylpropanal Openeye Name: ethanol; 4-methylpentan-2-one; 2-methylpropanal CAS Name: ethanol; 4-methyl-2-pentanone; 2-methylpropanal IUPAC Name: ethanol; 4-methylpentan-2-one; 2-methylpropanal Traditional Name: ethanol; 4-methylpentan-2-one; 2-methylpropionaldehyde Formula: C12H26O3 MolecularWeight: 218.33304

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CC(C)CC(=O)C.CC(C)C=O

Isomeric SMILES

CCO.CC(C)CC(=O)C.CC(C)C=O

InChI

InChI=1S/C6H12O.C4H8O.C2H6O/c1-5(2)4-6(3)7;1-4(2)3-5;1-2-3/h5H,4H2,1-3H3;3-4H,1-2H3;3H,2H2,1H3