ethanol; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2,3-diol

Systemtic Name: ethanol; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2,3-diol Openeye Name: ethanol; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2,3-diol CAS Name: ethanol; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2,3-diol IUPAC Name: ethanol; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2,3-diol Traditional Name: ethanol; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2,3-diol Formula: C8H10O4 MolecularWeight: 170.1626

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Descriptors Computed from Structure

Canonical SMILES:

CCO.C1=CC2=C(C(=C1O2)O)O

Isomeric SMILES

CCO.C1=CC2=C(C(=C1O2)O)O

InChI

InChI=1S/C6H4O3.C2H6O/c7-5-3-1-2-4(9-3)6(5)8;1-2-3/h1-2,7-8H;3H,2H2,1H3