2-(2-azanyl-4-chloranyl-5-oxidanyl-phenyl)sulfanylbenzoic acid

Systemtic Name: 2-(2-azanyl-4-chloranyl-5-oxidanyl-phenyl)sulfanylbenzoic acid Openeye Name: 2-(2-amino-4-chloro-5-hydroxy-phenyl)sulfanylbenzoic acid CAS Name: 2-[(2-amino-4-chloro-5-hydroxyphenyl)thio]benzoic acid IUPAC Name: 2-(2-amino-4-chloro-5-hydroxyphenyl)sulfanylbenzoic acid Traditional Name: 2-[(2-amino-4-chloro-5-hydroxy-phenyl)thio]benzoic acid Formula: C13H10ClNO3S MolecularWeight: 295.7414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SC2=CC(=C(C=C2N)Cl)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SC2=CC(=C(C=C2N)Cl)O

InChI

InChI=1S/C13H10ClNO3S/c14-8-5-9(15)12(6-10(8)16)19-11-4-2-1-3-7(11)13(17)18/h1-6,16H,15H2,(H,17,18)