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

Systemtic Name: (2-ethyl-2-methyl-6-oxidanylidene-oxepan-3-yl) ethanoate Openeye Name: (2-ethyl-2-methyl-6-oxo-oxepan-3-yl) acetate CAS Name: acetic acid (2-ethyl-2-methyl-6-oxo-3-oxepanyl) ester IUPAC Name: (2-ethyl-2-methyl-6-oxooxepan-3-yl) acetate Traditional Name: acetic acid (2-ethyl-6-keto-2-methyl-oxepan-3-yl) ester Formula: C11H18O4 MolecularWeight: 214.25822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(CCC(=O)CO1)OC(=O)C)C

Isomeric SMILES

CCC1(C(CCC(=O)CO1)OC(=O)C)C

InChI

InChI=1S/C11H18O4/c1-4-11(3)10(15-8(2)12)6-5-9(13)7-14-11/h10H,4-7H2,1-3H3