2-oxidanyl-4-(5H-purin-6-ylsulfanyldiazenyl)benzoic acid

Systemtic Name: 2-oxidanyl-4-(5H-purin-6-ylsulfanyldiazenyl)benzoic acid Openeye Name: 2-hydroxy-4-(5H-purin-6-ylsulfanylazo)benzoic acid CAS Name: 2-hydroxy-4-(5H-purin-6-ylthio)azobenzoic acid IUPAC Name: 2-hydroxy-4-(5H-purin-6-ylsulfanyldiazenyl)benzoic acid Traditional Name: 2-hydroxy-4-(5H-purin-6-ylthio)azo-benzoic acid Formula: C12H8N6O3S MolecularWeight: 316.29532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=NSC2=NC=NC3=NC=NC32)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N=NSC2=NC=NC3=NC=NC32)O)C(=O)O

InChI

InChI=1S/C12H8N6O3S/c19-8-3-6(1-2-7(8)12(20)21)17-18-22-11-9-10(14-4-13-9)15-5-16-11/h1-5,9,19H,(H,20,21)