5-(2-methylsulfanylphenoxy)pentanoic acid

Systemtic Name: 5-(2-methylsulfanylphenoxy)pentanoic acid Openeye Name: 5-(2-methylsulfanylphenoxy)pentanoic acid CAS Name: 5-[2-(methylthio)phenoxy]pentanoic acid IUPAC Name: 5-(2-methylsulfanylphenoxy)pentanoic acid Traditional Name: 5-[2-(methylthio)phenoxy]valeric acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1OCCCCC(=O)O

Isomeric SMILES

CSC1=CC=CC=C1OCCCCC(=O)O

InChI

InChI=1S/C12H16O3S/c1-16-11-7-3-2-6-10(11)15-9-5-4-8-12(13)14/h2-3,6-7H,4-5,8-9H2,1H3,(H,13,14)