3-[2-(2,5-dimethylphenoxy)ethylsulfanyl]propanoic acid

Systemtic Name: 3-[2-(2,5-dimethylphenoxy)ethylsulfanyl]propanoic acid Openeye Name: 3-[2-(2,5-dimethylphenoxy)ethylsulfanyl]propanoic acid CAS Name: 3-[2-(2,5-dimethylphenoxy)ethylthio]propanoic acid IUPAC Name: 3-[2-(2,5-dimethylphenoxy)ethylsulfanyl]propanoic acid Traditional Name: 3-[2-(2,5-dimethylphenoxy)ethylthio]propionic acid Formula: C13H18O3S MolecularWeight: 254.34522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCSCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCSCCC(=O)O

InChI

InChI=1S/C13H18O3S/c1-10-3-4-11(2)12(9-10)16-6-8-17-7-5-13(14)15/h3-4,9H,5-8H2,1-2H3,(H,14,15)