1-[3-tert-butyl-5-(2-methylpentan-2-yl)-4-oxidanyl-phenyl]pyrrole-2,5-dione

Systemtic Name: 1-[3-tert-butyl-5-(2-methylpentan-2-yl)-4-oxidanyl-phenyl]pyrrole-2,5-dione Openeye Name: 1-[3-tert-butyl-5-(1,1-dimethylbutyl)-4-hydroxy-phenyl]pyrrole-2,5-dione CAS Name: 1-[3-tert-butyl-4-hydroxy-5-(2-methylpentan-2-yl)phenyl]pyrrole-2,5-dione IUPAC Name: 1-[3-tert-butyl-4-hydroxy-5-(2-methylpentan-2-yl)phenyl]pyrrole-2,5-dione Traditional Name: 1-[3-tert-butyl-5-(1,1-dimethylbutyl)-4-hydroxy-phenyl]-3-pyrroline-2,5-quinone Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C1=C(C(=CC(=C1)N2C(=O)C=CC2=O)C(C)(C)C)O

Isomeric SMILES

CCCC(C)(C)C1=C(C(=CC(=C1)N2C(=O)C=CC2=O)C(C)(C)C)O

InChI

InChI=1S/C20H27NO3/c1-7-10-20(5,6)15-12-13(21-16(22)8-9-17(21)23)11-14(18(15)24)19(2,3)4/h8-9,11-12,24H,7,10H2,1-6H3