2-chloranyl-4-methyl-5-methylsulfanyl-benzoic acid

Systemtic Name: 2-chloranyl-4-methyl-5-methylsulfanyl-benzoic acid Openeye Name: 2-chloro-4-methyl-5-methylsulfanyl-benzoic acid CAS Name: 2-chloro-4-methyl-5-(methylthio)benzoic acid IUPAC Name: 2-chloro-4-methyl-5-methylsulfanylbenzoic acid Traditional Name: 2-chloro-4-methyl-5-(methylthio)benzoic acid Formula: C9H9ClO2S MolecularWeight: 216.68456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9ClO2S/c1-5-3-7(10)6(9(11)12)4-8(5)13-2/h3-4H,1-2H3,(H,11,12)