6-(3,5-dimethyl-4-methylsulfanyl-phenoxy)hexanoic acid

Systemtic Name: 6-(3,5-dimethyl-4-methylsulfanyl-phenoxy)hexanoic acid Openeye Name: 6-(3,5-dimethyl-4-methylsulfanyl-phenoxy)hexanoic acid CAS Name: 6-[3,5-dimethyl-4-(methylthio)phenoxy]hexanoic acid IUPAC Name: 6-(3,5-dimethyl-4-methylsulfanylphenoxy)hexanoic acid Traditional Name: 6-[3,5-dimethyl-4-(methylthio)phenoxy]hexanoic acid Formula: C15H22O3S MolecularWeight: 282.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SC)C)OCCCCCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1SC)C)OCCCCCC(=O)O

InChI

InChI=1S/C15H22O3S/c1-11-9-13(10-12(2)15(11)19-3)18-8-6-4-5-7-14(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)