4-ethyl-4-oxidanyl-heptane-3,5-dione

Systemtic Name: 4-ethyl-4-oxidanyl-heptane-3,5-dione Openeye Name: 4-ethyl-4-hydroxy-heptane-3,5-dione CAS Name: 4-ethyl-4-hydroxyheptane-3,5-dione IUPAC Name: 4-ethyl-4-hydroxyheptane-3,5-dione Traditional Name: 4-ethyl-4-hydroxy-heptane-3,5-dione Formula: C9H16O3 MolecularWeight: 172.22154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC)(C(=O)CC)O

Isomeric SMILES

CCC(=O)C(CC)(C(=O)CC)O

InChI

InChI=1S/C9H16O3/c1-4-7(10)9(12,6-3)8(11)5-2/h12H,4-6H2,1-3H3