1-(3-ethyl-1-benzofuran-2-yl)octane-1,3-dione

Systemtic Name: 1-(3-ethyl-1-benzofuran-2-yl)octane-1,3-dione Openeye Name: 1-(3-ethylbenzofuran-2-yl)octane-1,3-dione CAS Name: 1-(3-ethyl-2-benzofuranyl)octane-1,3-dione IUPAC Name: 1-(3-ethyl-1-benzofuran-2-yl)octane-1,3-dione Traditional Name: 1-(3-ethylbenzofuran-2-yl)octane-1,3-dione Formula: C18H22O3 MolecularWeight: 286.36548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CC(=O)C1=C(C2=CC=CC=C2O1)CC

Isomeric SMILES

CCCCCC(=O)CC(=O)C1=C(C2=CC=CC=C2O1)CC

InChI

InChI=1S/C18H22O3/c1-3-5-6-9-13(19)12-16(20)18-14(4-2)15-10-7-8-11-17(15)21-18/h7-8,10-11H,3-6,9,12H2,1-2H3