2-(3-chloranyl-2,5-dimethyl-phenyl)sulfanylethanoic acid

Systemtic Name: 2-(3-chloranyl-2,5-dimethyl-phenyl)sulfanylethanoic acid Openeye Name: 2-(3-chloro-2,5-dimethyl-phenyl)sulfanylacetic acid CAS Name: 2-[(3-chloro-2,5-dimethylphenyl)thio]acetic acid IUPAC Name: 2-(3-chloro-2,5-dimethylphenyl)sulfanylacetic acid Traditional Name: 2-[(3-chloro-2,5-dimethyl-phenyl)thio]acetic acid Formula: C10H11ClO2S MolecularWeight: 230.71114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11ClO2S/c1-6-3-8(11)7(2)9(4-6)14-5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13)