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

Systemtic Name: 2-(4-chloranyl-2-methyl-phenyl)ethanethioic S-acid Openeye Name: 2-(4-chloro-2-methyl-phenyl)ethanethioic S-acid CAS Name: 2-(4-chloro-2-methylphenyl)ethanethioic S-acid IUPAC Name: 2-(4-chloro-2-methylphenyl)ethanethioic S-acid Traditional Name: 2-(4-chloro-2-methyl-phenyl)thioacetic acid Formula: C9H9ClOS MolecularWeight: 200.68516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9ClOS/c1-6-4-8(10)3-2-7(6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)