3,5-ditert-butyl-3-oxidanyl-2-benzofuran-1-one

Systemtic Name: 3,5-ditert-butyl-3-oxidanyl-2-benzofuran-1-one Openeye Name: 3,5-ditert-butyl-3-hydroxy-isobenzofuran-1-one CAS Name: 3,5-ditert-butyl-3-hydroxy-1-isobenzofuranone IUPAC Name: 3,5-ditert-butyl-3-hydroxy-2-benzofuran-1-one Traditional Name: 3,5-ditert-butyl-3-hydroxy-phthalide Formula: C16H22O3 MolecularWeight: 262.34408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O3/c1-14(2,3)10-7-8-11-12(9-10)16(18,15(4,5)6)19-13(11)17/h7-9,18H,1-6H3