4-(carboxymethylsulfanyl)-3,5-bis(chloranyl)benzoic acid

Systemtic Name: 4-(carboxymethylsulfanyl)-3,5-bis(chloranyl)benzoic acid Openeye Name: 4-(carboxymethylsulfanyl)-3,5-dichloro-benzoic acid CAS Name: 4-(carboxymethylthio)-3,5-dichlorobenzoic acid IUPAC Name: 4-(carboxymethylsulfanyl)-3,5-dichlorobenzoic acid Traditional Name: 4-(carboxymethylthio)-3,5-dichloro-benzoic acid Formula: C9H6Cl2O4S MolecularWeight: 281.11254

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)SCC(=O)O)Cl)C(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1Cl)SCC(=O)O)Cl)C(=O)O

InChI

InChI=1S/C9H6Cl2O4S/c10-5-1-4(9(14)15)2-6(11)8(5)16-3-7(12)13/h1-2H,3H2,(H,12,13)(H,14,15)