5-methoxybicyclo[4.1.0]hepta-1(6),2,4-trien-7-one; methyl 6-oxidanylideneheptanoate

Systemtic Name: 5-methoxybicyclo[4.1.0]hepta-1(6),2,4-trien-7-one; methyl 6-oxidanylideneheptanoate Openeye Name: 5-methoxybicyclo[4.1.0]hepta-1(6),2,4-trien-7-one; methyl 6-oxoheptanoate CAS Name: 5-methoxy-7-bicyclo[4.1.0]hepta-1(6),2,4-trienone; 6-oxoheptanoic acid methyl ester IUPAC Name: 5-methoxybicyclo[4.1.0]hepta-1(6),2,4-trien-7-one; methyl 6-oxoheptanoate Traditional Name: 6-ketoenanthic acid methyl ester; 5-methoxybicyclo[4.1.0]hepta-1(6),2,4-trien-7-one Formula: C16H20O5 MolecularWeight: 292.327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCC(=O)OC.COC1=CC=CC2=C1C2=O

Isomeric SMILES

CC(=O)CCCCC(=O)OC.COC1=CC=CC2=C1C2=O

InChI

InChI=1S/C8H14O3.C8H6O2/c1-7(9)5-3-4-6-8(10)11-2;1-10-6-4-2-3-5-7(6)8(5)9/h3-6H2,1-2H3;2-4H,1H3