4-(tert-butylsulfanylmethyl)benzoate

Systemtic Name: 4-(tert-butylsulfanylmethyl)benzoate Openeye Name: 4-(tert-butylsulfanylmethyl)benzoate CAS Name: 4-[(tert-butylthio)methyl]benzoate IUPAC Name: 4-(tert-butylsulfanylmethyl)benzoate Traditional Name: 4-[(tert-butylthio)methyl]benzoate Formula: C12H15O2S- MolecularWeight: 223.3113

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC(C)(C)SCC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C12H16O2S/c1-12(2,3)15-8-9-4-6-10(7-5-9)11(13)14/h4-7H,8H2,1-3H3,(H,13,14)/p-1