2-[3-(3-tert-butyl-4-oxidanyl-phenyl)-2-oxidanyl-propyl]-3a,4,5,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[3-(3-tert-butyl-4-oxidanyl-phenyl)-2-oxidanyl-propyl]-3a,4,5,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-(3-tert-butyl-4-hydroxy-phenyl)-2-hydroxy-propyl]-3a,4,5,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-(3-tert-butyl-4-hydroxyphenyl)-2-hydroxypropyl]-3a,4,5,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-(3-tert-butyl-4-hydroxyphenyl)-2-hydroxypropyl]-3a,4,5,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-(3-tert-butyl-4-hydroxy-phenyl)-2-hydroxy-propyl]-3a,4,5,7a-tetrahydroisoindole-1,3-quinone Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)CC(CN2C(=O)C3CCC=CC3C2=O)O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)CC(CN2C(=O)C3CCC=CC3C2=O)O)O

InChI

InChI=1S/C21H27NO4/c1-21(2,3)17-11-13(8-9-18(17)24)10-14(23)12-22-19(25)15-6-4-5-7-16(15)20(22)26/h4,6,8-9,11,14-16,23-24H,5,7,10,12H2,1-3H3