(3,5-ditert-butyl-4-oxidanyl-phenyl)-isothiocyanato-methanone

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)-isothiocyanato-methanone Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzoyl isothiocyanate CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)-isothiocyanatomethanone IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzoyl isothiocyanate Traditional Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-isothiocyanato-methanone Formula: C16H21NO2S MolecularWeight: 291.40844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N=C=S

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N=C=S

InChI

InChI=1S/C16H21NO2S/c1-15(2,3)11-7-10(14(19)17-9-20)8-12(13(11)18)16(4,5)6/h7-8,18H,1-6H3