1-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyl]pyridazin-1-ium-3,6-dione

Systemtic Name: 1-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyl]pyridazin-1-ium-3,6-dione Openeye Name: 1-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyl]pyridazin-1-ium-3,6-dione CAS Name: 1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropyl]pyridazin-1-ium-3,6-dione IUPAC Name: 1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]pyridazin-1-ium-3,6-dione Traditional Name: 1-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyl]pyridazin-1-ium-3,6-quinone Formula: C21H27N2O4+ MolecularWeight: 371.45008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)[N+]2=NC(=O)C=CC2=O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)[N+]2=NC(=O)C=CC2=O

InChI

InChI=1S/C21H26N2O4/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/h8,10-12H,7,9H2,1-6H3/p+1