2-(2-carboxyethylsulfanyl)-4-chloranyl-benzoic acid

Systemtic Name: 2-(2-carboxyethylsulfanyl)-4-chloranyl-benzoic acid Openeye Name: 2-(2-carboxyethylsulfanyl)-4-chloro-benzoic acid CAS Name: 2-(2-carboxyethylthio)-4-chlorobenzoic acid IUPAC Name: 2-(2-carboxyethylsulfanyl)-4-chlorobenzoic acid Traditional Name: 2-(2-carboxyethylthio)-4-chloro-benzoic acid Formula: C10H9ClO4S MolecularWeight: 260.69406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)SCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)SCCC(=O)O)C(=O)O

InChI

InChI=1S/C10H9ClO4S/c11-6-1-2-7(10(14)15)8(5-6)16-4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13)(H,14,15)