4-oxidanylideneheptan-2-yl ethanoate

Systemtic Name: 4-oxidanylideneheptan-2-yl ethanoate Openeye Name: (1-methyl-3-oxo-hexyl) acetate CAS Name: acetic acid 4-oxoheptan-2-yl ester IUPAC Name: 4-oxoheptan-2-yl acetate Traditional Name: acetic acid (3-keto-1-methyl-hexyl) ester Formula: C9H16O3 MolecularWeight: 172.22154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC(C)OC(=O)C

Isomeric SMILES

CCCC(=O)CC(C)OC(=O)C

InChI

InChI=1S/C9H16O3/c1-4-5-9(11)6-7(2)12-8(3)10/h7H,4-6H2,1-3H3