2-(2-tert-butylsulfanylethoxy)benzoic acid

Systemtic Name: 2-(2-tert-butylsulfanylethoxy)benzoic acid Openeye Name: 2-(2-tert-butylsulfanylethoxy)benzoic acid CAS Name: 2-[2-(tert-butylthio)ethoxy]benzoic acid IUPAC Name: 2-(2-tert-butylsulfanylethoxy)benzoic acid Traditional Name: 2-[2-(tert-butylthio)ethoxy]benzoic acid Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCOC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C)(C)SCCOC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C13H18O3S/c1-13(2,3)17-9-8-16-11-7-5-4-6-10(11)12(14)15/h4-7H,8-9H2,1-3H3,(H,14,15)