2-(2,4-dimethylphenyl)sulfanylethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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