[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-4-ethanoyl-1H-pyrrol-3-yl] thiocyanate

Systemtic Name: [2-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-4-ethanoyl-1H-pyrrol-3-yl] thiocyanate Openeye Name: [4-acetyl-2-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1H-pyrrol-3-yl] thiocyanate CAS Name: thiocyanic acid [4-acetyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1H-pyrrol-3-yl] ester IUPAC Name: [4-acetyl-2-(3,5-ditert-butyl-4-hydroxybenzoyl)-1H-pyrrol-3-yl] thiocyanate Traditional Name: thiocyanic acid [4-acetyl-2-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1H-pyrrol-3-yl] ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1SC#N)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(=O)C1=CNC(=C1SC#N)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C22H26N2O3S/c1-12(25)14-10-24-17(20(14)28-11-23)18(26)13-8-15(21(2,3)4)19(27)16(9-13)22(5,6)7/h8-10,24,27H,1-7H3