2-(4-chloranyl-2-methyl-phenoxy)ethanethioic S-acid

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)ethanethioic S-acid Openeye Name: 2-(4-chloro-2-methyl-phenoxy)ethanethioic S-acid CAS Name: 2-(4-chloro-2-methylphenoxy)ethanethioic S-acid IUPAC Name: 2-(4-chloro-2-methylphenoxy)ethanethioic S-acid Traditional Name: 2-(4-chloro-2-methyl-phenoxy)thioacetic acid Formula: C9H9ClO2S MolecularWeight: 216.68456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)S

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)S

InChI

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