2-(4-ethylphenyl)sulfanylethanoic acid

Systemtic Name: 2-(4-ethylphenyl)sulfanylethanoic acid Openeye Name: 2-(4-ethylphenyl)sulfanylacetic acid CAS Name: 2-[(4-ethylphenyl)thio]acetic acid IUPAC Name: 2-(4-ethylphenyl)sulfanylacetic acid Traditional Name: 2-[(4-ethylphenyl)thio]acetic acid Formula: C10H12O2S MolecularWeight: 196.26608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SCC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)SCC(=O)O

InChI

InChI=1S/C10H12O2S/c1-2-8-3-5-9(6-4-8)13-7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)