(2-tert-butyl-5-methyl-4-oxidanyl-phenyl) thiocyanate

Systemtic Name: (2-tert-butyl-5-methyl-4-oxidanyl-phenyl) thiocyanate Openeye Name: (2-tert-butyl-4-hydroxy-5-methyl-phenyl) thiocyanate CAS Name: thiocyanic acid (2-tert-butyl-4-hydroxy-5-methylphenyl) ester IUPAC Name: (2-tert-butyl-4-hydroxy-5-methylphenyl) thiocyanate Traditional Name: thiocyanic acid (2-tert-butyl-4-hydroxy-5-methyl-phenyl) ester Formula: C12H15NOS MolecularWeight: 221.3186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC#N)C(C)(C)C)O

Isomeric SMILES

CC1=C(C=C(C(=C1)SC#N)C(C)(C)C)O

InChI

InChI=1S/C12H15NOS/c1-8-5-11(15-7-13)9(6-10(8)14)12(2,3)4/h5-6,14H,1-4H3