ethyl 3-oxidanylidenebutanoate; 2-methyl-4-oxidanylidene-pentanal

Systemtic Name: ethyl 3-oxidanylidenebutanoate; 2-methyl-4-oxidanylidene-pentanal Openeye Name: ethyl 3-oxobutanoate; 2-methyl-4-oxo-pentanal CAS Name: 2-methyl-4-oxopentanal; 3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 3-oxobutanoate; 2-methyl-4-oxopentanal Traditional Name: 3-ketobutyric acid ethyl ester; 4-keto-2-methyl-valeraldehyde Formula: C12H20O5 MolecularWeight: 244.2842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C.CC(CC(=O)C)C=O

Isomeric SMILES

CCOC(=O)CC(=O)C.CC(CC(=O)C)C=O

InChI

InChI=1S/C6H10O3.C6H10O2/c1-3-9-6(8)4-5(2)7;1-5(4-7)3-6(2)8/h3-4H2,1-2H3;4-5H,3H2,1-2H3