2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N2C(=O)C3CCCCC3C2=O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N2C(=O)C3CCCCC3C2=O

InChI

InChI=1S/C22H31NO3/c1-21(2,3)16-11-13(12-17(18(16)24)22(4,5)6)23-19(25)14-9-7-8-10-15(14)20(23)26/h11-12,14-15,24H,7-10H2,1-6H3