5-(2-methylsulfanylphenoxy)-3-oxidanyl-pentanoic acid

Systemtic Name: 5-(2-methylsulfanylphenoxy)-3-oxidanyl-pentanoic acid Openeye Name: 3-hydroxy-5-(2-methylsulfanylphenoxy)pentanoic acid CAS Name: 3-hydroxy-5-[2-(methylthio)phenoxy]pentanoic acid IUPAC Name: 3-hydroxy-5-(2-methylsulfanylphenoxy)pentanoic acid Traditional Name: 3-hydroxy-5-[2-(methylthio)phenoxy]valeric acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1OCCC(CC(=O)O)O

Isomeric SMILES

CSC1=CC=CC=C1OCCC(CC(=O)O)O

InChI

InChI=1S/C12H16O4S/c1-17-11-5-3-2-4-10(11)16-7-6-9(13)8-12(14)15/h2-5,9,13H,6-8H2,1H3,(H,14,15)