2-[3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-2-oxidanyl-propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-2-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-2-hydroxy-propyl]isoindoline-1,3-dione CAS Name: 2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxypropyl]isoindole-1,3-dione IUPAC Name: 2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxypropyl]isoindole-1,3-dione Traditional Name: 2-[3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-2-hydroxy-propyl]isoindoline-1,3-quinone Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CC(CN2C(=O)C3=CC=CC=C3C2=O)O)C(C)(C)C)O

Isomeric SMILES

CC1=C(C(=CC(=C1)CC(CN2C(=O)C3=CC=CC=C3C2=O)O)C(C)(C)C)O

InChI

InChI=1S/C22H25NO4/c1-13-9-14(11-18(19(13)25)22(2,3)4)10-15(24)12-23-20(26)16-7-5-6-8-17(16)21(23)27/h5-9,11,15,24-25H,10,12H2,1-4H3