3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione; hexane-1,6-diol

Systemtic Name: 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione; hexane-1,6-diol Openeye Name: 3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione; hexane-1,6-diol CAS Name: 3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione; hexane-1,6-diol IUPAC Name: 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione; hexane-1,6-diol Traditional Name: 3a,4,7,7a-tetrahydroisobenzofuran-1,3-quinone; hexane-1,6-diol Formula: C14H22O5 MolecularWeight: 270.32148

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)OC2=O.C(CCCO)CCO

Isomeric SMILES

C1C=CCC2C1C(=O)OC2=O.C(CCCO)CCO

InChI

InChI=1S/C8H8O3.C6H14O2/c9-7-5-3-1-2-4-6(5)8(10)11-7;7-5-3-1-2-4-6-8/h1-2,5-6H,3-4H2;7-8H,1-6H2