1-butyl-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-pyrrolidin-1-ium-2,5-dione

Systemtic Name: 1-butyl-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-pyrrolidin-1-ium-2,5-dione Openeye Name: 1-butyl-1-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-pyrrolidin-1-ium-2,5-dione CAS Name: 1-butyl-1-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]pyrrolidin-1-ium-2,5-dione IUPAC Name: 1-butyl-1-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpyrrolidin-1-ium-2,5-dione Traditional Name: 1-butyl-1-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]pyrrolidin-1-ium-2,5-quinone Formula: C22H34NO3S+ MolecularWeight: 392.57526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C(=O)CCC1=O)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCC[N+]1(C(=O)CCC1=O)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C22H33NO3S/c1-8-9-12-23(18(24)10-11-19(23)25)27-15-13-16(21(2,3)4)20(26)17(14-15)22(5,6)7/h13-14H,8-12H2,1-7H3/p+1