3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; butane-1,4-diol

Systemtic Name: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; butane-1,4-diol Openeye Name: 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione; butane-1,4-diol CAS Name: 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione; butane-1,4-diol IUPAC Name: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; butane-1,4-diol Traditional Name: 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-quinone; butane-1,4-diol Formula: C12H20O5 MolecularWeight: 244.2842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)OC2=O.C(CCO)CO

Isomeric SMILES

C1CCC2C(C1)C(=O)OC2=O.C(CCO)CO

InChI

InChI=1S/C8H10O3.C4H10O2/c9-7-5-3-1-2-4-6(5)8(10)11-7;5-3-1-2-4-6/h5-6H,1-4H2;5-6H,1-4H2