2-(tert-butylsulfanylmethyl)benzoic acid

Systemtic Name: 2-(tert-butylsulfanylmethyl)benzoic acid Openeye Name: 2-(tert-butylsulfanylmethyl)benzoic acid CAS Name: 2-[(tert-butylthio)methyl]benzoic acid IUPAC Name: 2-(tert-butylsulfanylmethyl)benzoic acid Traditional Name: 2-[(tert-butylthio)methyl]benzoic acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C)(C)SCC1=CC=CC=C1C(=O)O

InChI

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