3-azanyl-4-chloranyl-5-sulfanyl-benzoic acid

Systemtic Name: 3-azanyl-4-chloranyl-5-sulfanyl-benzoic acid Openeye Name: 3-amino-4-chloro-5-sulfanyl-benzoic acid CAS Name: 3-amino-4-chloro-5-mercaptobenzoic acid IUPAC Name: 3-amino-4-chloro-5-sulfanylbenzoic acid Traditional Name: 3-amino-4-chloro-5-mercapto-benzoic acid Formula: C7H6ClNO2S MolecularWeight: 203.64604

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1N)Cl)S)C(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1N)Cl)S)C(=O)O

InChI

InChI=1S/C7H6ClNO2S/c8-6-4(9)1-3(7(10)11)2-5(6)12/h1-2,12H,9H2,(H,10,11)