(2-ethyl-5-methyl-4-oxidanylidene-furan-3-yl) 3-methylbutanoate

Systemtic Name: (2-ethyl-5-methyl-4-oxidanylidene-furan-3-yl) 3-methylbutanoate Openeye Name: (2-ethyl-5-methyl-4-oxo-3-furyl) 3-methylbutanoate CAS Name: 3-methylbutanoic acid (2-ethyl-5-methyl-4-oxo-3-furanyl) ester IUPAC Name: (2-ethyl-5-methyl-4-oxofuran-3-yl) 3-methylbutanoate Traditional Name: 3-methylbutyric acid (2-ethyl-4-keto-5-methyl-3-furyl) ester Formula: C12H18O4 MolecularWeight: 226.26892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C(O1)C)OC(=O)CC(C)C

Isomeric SMILES

CCC1=C(C(=O)C(O1)C)OC(=O)CC(C)C

InChI

InChI=1S/C12H18O4/c1-5-9-12(11(14)8(4)15-9)16-10(13)6-7(2)3/h7-8H,5-6H2,1-4H3