3-(2-butan-2-ylsulfanylethoxy)benzoic acid

Systemtic Name: 3-(2-butan-2-ylsulfanylethoxy)benzoic acid Openeye Name: 3-(2-sec-butylsulfanylethoxy)benzoic acid CAS Name: 3-[2-(butan-2-ylthio)ethoxy]benzoic acid IUPAC Name: 3-(2-butan-2-ylsulfanylethoxy)benzoic acid Traditional Name: 3-[2-(sec-butylthio)ethoxy]benzoic acid Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCCOC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCC(C)SCCOC1=CC=CC(=C1)C(=O)O

InChI

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