2-(4-methylsulfanylphenoxy)pentanoic acid

Systemtic Name: 2-(4-methylsulfanylphenoxy)pentanoic acid Openeye Name: 2-(4-methylsulfanylphenoxy)pentanoic acid CAS Name: 2-[4-(methylthio)phenoxy]pentanoic acid IUPAC Name: 2-(4-methylsulfanylphenoxy)pentanoic acid Traditional Name: 2-[4-(methylthio)phenoxy]valeric acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)OC1=CC=C(C=C1)SC

Isomeric SMILES

CCCC(C(=O)O)OC1=CC=C(C=C1)SC

InChI

InChI=1S/C12H16O3S/c1-3-4-11(12(13)14)15-9-5-7-10(16-2)8-6-9/h5-8,11H,3-4H2,1-2H3,(H,13,14)