3-(2-butylsulfanylethoxy)benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCOC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCCCSCCOC1=CC=CC(=C1)C(=O)O

InChI

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