(3aS,7aR)-4,5,6-trimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Systemtic Name: (3aS,7aR)-4,5,6-trimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione Openeye Name: (3aS,7aR)-4,5,6-trimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione CAS Name: (3aS,7aR)-4,5,6-trimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione IUPAC Name: (3aS,7aR)-4,5,6-trimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione Traditional Name: (3aS,7aR)-4,5,6-trimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-quinone Formula: C11H14O3 MolecularWeight: 194.22706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(CC(=C1C)C)C(=O)OC2=O

Isomeric SMILES

CC1[C@H]2[C@@H](CC(=C1C)C)C(=O)OC2=O

InChI

InChI=1S/C11H14O3/c1-5-4-8-9(7(3)6(5)2)11(13)14-10(8)12/h7-9H,4H2,1-3H3/t7?,8-,9+/m1/s1