(3-methylidene-2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-7-yl) 3-methylbutanoate

Systemtic Name: (3-methylidene-2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-7-yl) 3-methylbutanoate Openeye Name: (3-methylene-2-oxo-3a,4,5,6,7,7a-hexahydrobenzofuran-7-yl) 3-methylbutanoate CAS Name: 3-methylbutanoic acid (3-methylene-2-oxo-3a,4,5,6,7,7a-hexahydrobenzofuran-7-yl) ester IUPAC Name: (3-methylidene-2-oxo-3a,4,5,6,7,7a-hexahydro-1-benzofuran-7-yl) 3-methylbutanoate Traditional Name: 3-methylbutyric acid (2-keto-3-methylene-3a,4,5,6,7,7a-hexahydrobenzofuran-7-yl) ester Formula: C14H20O4 MolecularWeight: 252.3062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1CCCC2C1OC(=O)C2=C

Isomeric SMILES

CC(C)CC(=O)OC1CCCC2C1OC(=O)C2=C

InChI

InChI=1S/C14H20O4/c1-8(2)7-12(15)17-11-6-4-5-10-9(3)14(16)18-13(10)11/h8,10-11,13H,3-7H2,1-2H3