2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyl]-1H-pyridazine-3,6-dione

Systemtic Name: 2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyl]-1H-pyridazine-3,6-dione Openeye Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyl]-1H-pyridazine-3,6-dione CAS Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropyl]-1H-pyridazine-3,6-dione IUPAC Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1H-pyridazine-3,6-dione Traditional Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyl]-1H-pyridazine-3,6-quinone Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)N2C(=O)C=CC(=O)N2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)N2C(=O)C=CC(=O)N2

InChI

InChI=1S/C21H28N2O4/c1-20(2,3)14-11-13(12-15(19(14)27)21(4,5)6)7-9-17(25)23-18(26)10-8-16(24)22-23/h8,10-12,27H,7,9H2,1-6H3,(H,22,24)