2-chloranyl-4-ethyl-3-sulfanyl-benzoic acid

Systemtic Name: 2-chloranyl-4-ethyl-3-sulfanyl-benzoic acid Openeye Name: 2-chloro-4-ethyl-3-sulfanyl-benzoic acid CAS Name: 2-chloro-4-ethyl-3-mercaptobenzoic acid IUPAC Name: 2-chloro-4-ethyl-3-sulfanylbenzoic acid Traditional Name: 2-chloro-4-ethyl-3-mercapto-benzoic acid Formula: C9H9ClO2S MolecularWeight: 216.68456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)C(=O)O)Cl)S

Isomeric SMILES

CCC1=C(C(=C(C=C1)C(=O)O)Cl)S

InChI

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