5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Systemtic Name: 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione Openeye Name: 5,6-dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione CAS Name: 5,6-dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione IUPAC Name: 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione Traditional Name: 5,6-dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-quinone Formula: C10H12O3 MolecularWeight: 180.20048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2C(C1)C(=O)OC2=O)C

Isomeric SMILES

CC1=C(CC2C(C1)C(=O)OC2=O)C

InChI

InChI=1S/C10H12O3/c1-5-3-7-8(4-6(5)2)10(12)13-9(7)11/h7-8H,3-4H2,1-2H3