2-[3-(methylsulfanylmethyl)phenyl]ethanoic acid

Systemtic Name: 2-[3-(methylsulfanylmethyl)phenyl]ethanoic acid Openeye Name: 2-[3-(methylsulfanylmethyl)phenyl]acetic acid CAS Name: 2-[3-[(methylthio)methyl]phenyl]acetic acid IUPAC Name: 2-[3-(methylsulfanylmethyl)phenyl]acetic acid Traditional Name: 2-[3-[(methylthio)methyl]phenyl]acetic acid Formula: C10H12O2S MolecularWeight: 196.26608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)CC(=O)O

Isomeric SMILES

CSCC1=CC=CC(=C1)CC(=O)O

InChI

InChI=1S/C10H12O2S/c1-13-7-9-4-2-3-8(5-9)6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)