2-(5-chloranyl-2-methyl-phenyl)sulfanylethanoic acid

Systemtic Name: 2-(5-chloranyl-2-methyl-phenyl)sulfanylethanoic acid Openeye Name: 2-(5-chloro-2-methyl-phenyl)sulfanylacetic acid CAS Name: 2-[(5-chloro-2-methylphenyl)thio]acetic acid IUPAC Name: 2-(5-chloro-2-methylphenyl)sulfanylacetic acid Traditional Name: 2-[(5-chloro-2-methyl-phenyl)thio]acetic acid Formula: C9H9ClO2S MolecularWeight: 216.68456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9ClO2S/c1-6-2-3-7(10)4-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)