(2-methyl-6-oxidanylidene-2-propyl-oxepan-3-yl) ethanoate

Systemtic Name: (2-methyl-6-oxidanylidene-2-propyl-oxepan-3-yl) ethanoate Openeye Name: (2-methyl-6-oxo-2-propyl-oxepan-3-yl) acetate CAS Name: acetic acid (2-methyl-6-oxo-2-propyl-3-oxepanyl) ester IUPAC Name: (2-methyl-6-oxo-2-propyloxepan-3-yl) acetate Traditional Name: acetic acid (6-keto-2-methyl-2-propyl-oxepan-3-yl) ester Formula: C12H20O4 MolecularWeight: 228.2848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(CCC(=O)CO1)OC(=O)C)C

Isomeric SMILES

CCCC1(C(CCC(=O)CO1)OC(=O)C)C

InChI

InChI=1S/C12H20O4/c1-4-7-12(3)11(16-9(2)13)6-5-10(14)8-15-12/h11H,4-8H2,1-3H3