3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol

Systemtic Name: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Openeye Name: 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol CAS Name: 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Traditional Name: 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-quinone; 2-ethyl-2-methylol-propane-1,3-diol Formula: C14H24O6 MolecularWeight: 288.33676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10O3.C6H14O3/c9-7-5-3-1-2-4-6(5)8(10)11-7;1-2-6(3-7,4-8)5-9/h5-6H,1-4H2;7-9H,2-5H2,1H3