ethyl 3-chloranyl-4-sulfanyl-benzoate

Systemtic Name: ethyl 3-chloranyl-4-sulfanyl-benzoate Openeye Name: ethyl 3-chloro-4-sulfanyl-benzoate CAS Name: 3-chloro-4-mercaptobenzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-sulfanylbenzoate Traditional Name: 3-chloro-4-mercapto-benzoic acid ethyl ester Formula: C9H9ClO2S MolecularWeight: 216.68456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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