ethyl 4-chloranyl-2-sulfanyl-benzoate

Systemtic Name: ethyl 4-chloranyl-2-sulfanyl-benzoate Openeye Name: ethyl 4-chloro-2-sulfanyl-benzoate CAS Name: 4-chloro-2-mercaptobenzoic acid ethyl ester IUPAC Name: ethyl 4-chloro-2-sulfanylbenzoate Traditional Name: 4-chloro-2-mercapto-benzoic acid ethyl ester Formula: C9H9ClO2S MolecularWeight: 216.68456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)Cl)S

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)Cl)S

InChI

InChI=1S/C9H9ClO2S/c1-2-12-9(11)7-4-3-6(10)5-8(7)13/h3-5,13H,2H2,1H3