butan-2-yl ethanoate; 5-ethyl-3-oxabicyclo[2.2.2]octa-1(6),4,7-trien-2-one

Systemtic Name: butan-2-yl ethanoate; 5-ethyl-3-oxabicyclo[2.2.2]octa-1(6),4,7-trien-2-one Openeye Name: 5-ethyl-3-oxabicyclo[2.2.2]octa-1(6),4,7-trien-2-one; sec-butyl acetate CAS Name: acetic acid butan-2-yl ester; 5-ethyl-3-oxabicyclo[2.2.2]octa-1(6),4,7-trien-2-one IUPAC Name: butan-2-yl acetate; 5-ethyl-3-oxabicyclo[2.2.2]octa-1(6),4,7-trien-2-one Traditional Name: acetic acid sec-butyl ester; 5-ethyl-3-oxabicyclo[2.2.2]octa-1(6),4,7-trien-2-one Formula: C15H20O4 MolecularWeight: 264.3169

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=CC(=C1)C(=O)O2.CCC(C)OC(=O)C

Isomeric SMILES

CCC1=C2C=CC(=C1)C(=O)O2.CCC(C)OC(=O)C

InChI

InChI=1S/C9H8O2.C6H12O2/c1-2-6-5-7-3-4-8(6)11-9(7)10;1-4-5(2)8-6(3)7/h3-5H,2H2,1H3;5H,4H2,1-3H3