3-tert-butyl-4-methyl-3-oxidanyl-2-benzofuran-1-one

Systemtic Name: 3-tert-butyl-4-methyl-3-oxidanyl-2-benzofuran-1-one Openeye Name: 3-tert-butyl-3-hydroxy-4-methyl-isobenzofuran-1-one CAS Name: 3-tert-butyl-3-hydroxy-4-methyl-1-isobenzofuranone IUPAC Name: 3-tert-butyl-3-hydroxy-4-methyl-2-benzofuran-1-one Traditional Name: 3-tert-butyl-3-hydroxy-4-methyl-phthalide Formula: C13H16O3 MolecularWeight: 220.26434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(OC2=O)(C(C)(C)C)O

Isomeric SMILES

CC1=CC=CC2=C1C(OC2=O)(C(C)(C)C)O

InChI

InChI=1S/C13H16O3/c1-8-6-5-7-9-10(8)13(15,12(2,3)4)16-11(9)14/h5-7,15H,1-4H3