3-tert-butyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; ethanoic acid

Systemtic Name: 3-tert-butyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; ethanoic acid Openeye Name: acetic acid; 3-tert-butyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene CAS Name: acetic acid; 3-tert-butyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene IUPAC Name: acetic acid; 3-tert-butyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene Traditional Name: acetic acid; 3-tert-butyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene Formula: C12H16O3 MolecularWeight: 208.25364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(C)(C)C1=C2C=CC(=C1)O2

Isomeric SMILES

CC(=O)O.CC(C)(C)C1=C2C=CC(=C1)O2

InChI

InChI=1S/C10H12O.C2H4O2/c1-10(2,3)8-6-7-4-5-9(8)11-7;1-2(3)4/h4-6H,1-3H3;1H3,(H,3,4)