3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol

Systemtic Name: 3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Openeye Name: 3a,4,5,7a-tetrahydroisobenzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol CAS Name: 3a,4,5,7a-tetrahydroisobenzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: 3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Traditional Name: 3a,4,5,7a-tetrahydroisobenzofuran-1,3-quinone; 2-ethyl-2-methylol-propane-1,3-diol Formula: C14H22O6 MolecularWeight: 286.32088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.C1CC2C(C=C1)C(=O)OC2=O

Isomeric SMILES

CCC(CO)(CO)CO.C1CC2C(C=C1)C(=O)OC2=O

InChI

InChI=1S/C8H8O3.C6H14O3/c9-7-5-3-1-2-4-6(5)8(10)11-7;1-2-6(3-7,4-8)5-9/h1,3,5-6H,2,4H2;7-9H,2-5H2,1H3