(3,5-ditert-butyl-4-oxidanyl-phenyl) thiocyanate; 2,6-ditert-butyl-4-sulfanyl-phenol

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl) thiocyanate; 2,6-ditert-butyl-4-sulfanyl-phenol Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl) thiocyanate; 2,6-ditert-butyl-4-sulfanyl-phenol CAS Name: 2,6-ditert-butyl-4-mercaptophenol; thiocyanic acid (3,5-ditert-butyl-4-hydroxyphenyl) ester IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl) thiocyanate; 2,6-ditert-butyl-4-sulfanylphenol Traditional Name: 2,6-ditert-butyl-4-mercapto-phenol; thiocyanic acid (3,5-ditert-butyl-4-hydroxy-phenyl) ester Formula: C29H43NO2S2 MolecularWeight: 501.78722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC#N

InChI

InChI=1S/C15H21NOS.C14H22OS/c1-14(2,3)11-7-10(18-9-16)8-12(13(11)17)15(4,5)6;1-13(2,3)10-7-9(16)8-11(12(10)15)14(4,5)6/h7-8,17H,1-6H3;7-8,15-16H,1-6H3