2-(3-chloranyl-2-methyl-phenyl)ethanethioic S-acid

Systemtic Name: 2-(3-chloranyl-2-methyl-phenyl)ethanethioic S-acid Openeye Name: 2-(3-chloro-2-methyl-phenyl)ethanethioic S-acid CAS Name: 2-(3-chloro-2-methylphenyl)ethanethioic S-acid IUPAC Name: 2-(3-chloro-2-methylphenyl)ethanethioic S-acid Traditional Name: 2-(3-chloro-2-methyl-phenyl)thioacetic acid Formula: C9H9ClOS MolecularWeight: 200.68516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)CC(=O)S

Isomeric SMILES

CC1=C(C=CC=C1Cl)CC(=O)S

InChI

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