5-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione

Systemtic Name: 5-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione Openeye Name: 5-methyl-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione CAS Name: 5-methyl-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione IUPAC Name: 5-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione Traditional Name: 5-methyl-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-quinone Formula: C9H12O3 MolecularWeight: 168.18978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C1)C(=O)OC2=O

Isomeric SMILES

CC1CCC2C(C1)C(=O)OC2=O

InChI

InChI=1S/C9H12O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h5-7H,2-4H2,1H3