3-tert-butyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 4-ethoxy-2-oxidanyl-benzoic acid

Systemtic Name: 3-tert-butyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 4-ethoxy-2-oxidanyl-benzoic acid Openeye Name: 3-tert-butyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 4-ethoxy-2-hydroxy-benzoic acid CAS Name: 3-tert-butyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 4-ethoxy-2-hydroxybenzoic acid IUPAC Name: 3-tert-butyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 4-ethoxy-2-hydroxybenzoic acid Traditional Name: 3-tert-butyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 4-ethoxy-2-hydroxy-benzoic acid Formula: C19H22O5 MolecularWeight: 330.37498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C(=O)O)O.CC(C)(C)C1=C2C=CC(=C1)O2

Isomeric SMILES

CCOC1=CC(=C(C=C1)C(=O)O)O.CC(C)(C)C1=C2C=CC(=C1)O2

InChI

InChI=1S/C10H12O.C9H10O4/c1-10(2,3)8-6-7-4-5-9(8)11-7;1-2-13-6-3-4-7(9(11)12)8(10)5-6/h4-6H,1-3H3;3-5,10H,2H2,1H3,(H,11,12)