(3aR,7aS)-7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione

Systemtic Name: (3aR,7aS)-7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione Openeye Name: (3aR,7aS)-7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione CAS Name: (3aR,7aS)-7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione IUPAC Name: (3aR,7aS)-7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione Traditional Name: (3aR,7aS)-7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-quinone Formula: C9H10O3 MolecularWeight: 166.1739

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC=CCC1C(=O)OC2=O

Isomeric SMILES

C[C@]12CC=CC[C@H]1C(=O)OC2=O

InChI

InChI=1S/C9H10O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h2-3,6H,4-5H2,1H3/t6-,9-/m0/s1