3a-methyl-4H-2-benzofuran-1,3-dione

Systemtic Name: 3a-methyl-4H-2-benzofuran-1,3-dione Openeye Name: 3a-methyl-4H-isobenzofuran-1,3-dione CAS Name: 3a-methyl-4H-isobenzofuran-1,3-dione IUPAC Name: 3a-methyl-4H-2-benzofuran-1,3-dione Traditional Name: 3a-methyl-4H-isobenzofuran-1,3-quinone Formula: C9H8O3 MolecularWeight: 164.15802

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC=CC=C1C(=O)OC2=O

Isomeric SMILES

CC12CC=CC=C1C(=O)OC2=O

InChI

InChI=1S/C9H8O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h2-4H,5H2,1H3