4-methyl-7-propyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Systemtic Name: 4-methyl-7-propyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione Openeye Name: 4-methyl-7-propyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione CAS Name: 4-methyl-7-propyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione IUPAC Name: 4-methyl-7-propyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione Traditional Name: 4-methyl-7-propyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-quinone Formula: C12H16O3 MolecularWeight: 208.25364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1C=CC(C2C1C(=O)OC2=O)C

Isomeric SMILES

CCCC1C=CC(C2C1C(=O)OC2=O)C

InChI

InChI=1S/C12H16O3/c1-3-4-8-6-5-7(2)9-10(8)12(14)15-11(9)13/h5-10H,3-4H2,1-2H3