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

Systemtic Name: 5-bromanyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione Openeye Name: 5-bromo-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione CAS Name: 5-bromo-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione IUPAC Name: 5-bromo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione Traditional Name: 5-bromo-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-quinone Formula: C8H9BrO3 MolecularWeight: 233.05926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(CC1Br)C(=O)OC2=O

Isomeric SMILES

C1CC2C(CC1Br)C(=O)OC2=O

InChI

InChI=1S/C8H9BrO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h4-6H,1-3H2