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

Systemtic Name: 1-[3,5-bis(2-methylpentan-2-yl)-4-oxidanyl-phenyl]pyrrole-2,5-dione Openeye Name: 1-[3,5-bis(1,1-dimethylbutyl)-4-hydroxy-phenyl]pyrrole-2,5-dione CAS Name: 1-[4-hydroxy-3,5-bis(2-methylpentan-2-yl)phenyl]pyrrole-2,5-dione IUPAC Name: 1-[4-hydroxy-3,5-bis(2-methylpentan-2-yl)phenyl]pyrrole-2,5-dione Traditional Name: 1-[3,5-bis(1,1-dimethylbutyl)-4-hydroxy-phenyl]-3-pyrroline-2,5-quinone Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCC)N2C(=O)C=CC2=O

Isomeric SMILES

CCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCC)N2C(=O)C=CC2=O

InChI

InChI=1S/C22H31NO3/c1-7-11-21(3,4)16-13-15(23-18(24)9-10-19(23)25)14-17(20(16)26)22(5,6)12-8-2/h9-10,13-14,26H,7-8,11-12H2,1-6H3