2-(4-ethylphenyl)-2-sulfanyl-ethanoic acid

Systemtic Name: 2-(4-ethylphenyl)-2-sulfanyl-ethanoic acid Openeye Name: 2-(4-ethylphenyl)-2-sulfanyl-acetic acid CAS Name: 2-(4-ethylphenyl)-2-mercaptoacetic acid IUPAC Name: 2-(4-ethylphenyl)-2-sulfanylacetic acid Traditional Name: 2-(4-ethylphenyl)-2-mercapto-acetic acid Formula: C10H12O2S MolecularWeight: 196.26608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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