bicyclo[2.2.2]octa-1,3,5-triene hydrate

Systemtic Name: bicyclo[2.2.2]octa-1,3,5-triene hydrate Openeye Name: bicyclo[2.2.2]octa-1,3,5-triene hydrate CAS Name: bicyclo[2.2.2]octa-1,3,5-triene hydrate IUPAC Name: bicyclo[2.2.2]octa-1,3,5-triene hydrate Traditional Name: bicyclo[2.2.2]octa-1,3,5-triene hydrate Formula: C8H10O MolecularWeight: 122.1644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=C1C=C2.O

Isomeric SMILES

C1CC2=CC=C1C=C2.O

InChI

InChI=1S/C8H8.H2O/c1-2-8-5-3-7(1)4-6-8;/h1-3,5H,4,6H2;1H2