3-tert-butyl-5-ethyl-3-oxidanyl-2-benzofuran-1-one

Systemtic Name: 3-tert-butyl-5-ethyl-3-oxidanyl-2-benzofuran-1-one Openeye Name: 3-tert-butyl-5-ethyl-3-hydroxy-isobenzofuran-1-one CAS Name: 3-tert-butyl-5-ethyl-3-hydroxy-1-isobenzofuranone IUPAC Name: 3-tert-butyl-5-ethyl-3-hydroxy-2-benzofuran-1-one Traditional Name: 3-tert-butyl-5-ethyl-3-hydroxy-phthalide Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=O)OC2(C(C)(C)C)O

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=O)OC2(C(C)(C)C)O

InChI

InChI=1S/C14H18O3/c1-5-9-6-7-10-11(8-9)14(16,13(2,3)4)17-12(10)15/h6-8,16H,5H2,1-4H3