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

Systemtic Name: (2-butyl-2-methyl-6-oxidanylidene-oxepan-3-yl) ethanoate Openeye Name: (2-butyl-2-methyl-6-oxo-oxepan-3-yl) acetate CAS Name: acetic acid (2-butyl-2-methyl-6-oxo-3-oxepanyl) ester IUPAC Name: (2-butyl-2-methyl-6-oxooxepan-3-yl) acetate Traditional Name: acetic acid (2-butyl-6-keto-2-methyl-oxepan-3-yl) ester Formula: C13H22O4 MolecularWeight: 242.31138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(CCC(=O)CO1)OC(=O)C)C

Isomeric SMILES

CCCCC1(C(CCC(=O)CO1)OC(=O)C)C

InChI

InChI=1S/C13H22O4/c1-4-5-8-13(3)12(17-10(2)14)7-6-11(15)9-16-13/h12H,4-9H2,1-3H3