(2-oxidanyl-3-thiocyanato-propyl) 4-tert-butylbenzoate

Systemtic Name: (2-oxidanyl-3-thiocyanato-propyl) 4-tert-butylbenzoate Openeye Name: (2-hydroxy-3-thiocyanato-propyl) 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (2-hydroxy-3-thiocyanatopropyl) ester IUPAC Name: (2-hydroxy-3-thiocyanatopropyl) 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (2-hydroxy-3-thiocyanato-propyl) ester Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(CSC#N)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(CSC#N)O

InChI

InChI=1S/C15H19NO3S/c1-15(2,3)12-6-4-11(5-7-12)14(18)19-8-13(17)9-20-10-16/h4-7,13,17H,8-9H2,1-3H3