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

Systemtic Name: 1-[3-tert-butyl-5-(2-methylhexan-2-yl)-4-oxidanyl-phenyl]pyrrole-2,5-dione Openeye Name: 1-[3-tert-butyl-5-(1,1-dimethylpentyl)-4-hydroxy-phenyl]pyrrole-2,5-dione CAS Name: 1-[3-tert-butyl-4-hydroxy-5-(2-methylhexan-2-yl)phenyl]pyrrole-2,5-dione IUPAC Name: 1-[3-tert-butyl-4-hydroxy-5-(2-methylhexan-2-yl)phenyl]pyrrole-2,5-dione Traditional Name: 1-[3-tert-butyl-5-(1,1-dimethylpentyl)-4-hydroxy-phenyl]-3-pyrroline-2,5-quinone Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO3/c1-7-8-11-21(5,6)16-13-14(22-17(23)9-10-18(22)24)12-15(19(16)25)20(2,3)4/h9-10,12-13,25H,7-8,11H2,1-6H3