6,7-bis(chloranyl)-5-oxidanyl-2-(1,2,5-thiadiazol-3-ylmethyl)-3H-1-benzofuran-2-carboxylic acid

Systemtic Name: 6,7-bis(chloranyl)-5-oxidanyl-2-(1,2,5-thiadiazol-3-ylmethyl)-3H-1-benzofuran-2-carboxylic acid Openeye Name: 6,7-dichloro-5-hydroxy-2-(1,2,5-thiadiazol-3-ylmethyl)-3H-benzofuran-2-carboxylic acid CAS Name: 6,7-dichloro-5-hydroxy-2-(1,2,5-thiadiazol-3-ylmethyl)-3H-benzofuran-2-carboxylic acid IUPAC Name: 6,7-dichloro-5-hydroxy-2-(1,2,5-thiadiazol-3-ylmethyl)-3H-1-benzofuran-2-carboxylic acid Traditional Name: 6,7-dichloro-5-hydroxy-2-(1,2,5-thiadiazol-3-ylmethyl)coumaran-2-carboxylic acid Formula: C12H8Cl2N2O4S MolecularWeight: 347.17392

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C(=C2OC1(CC3=NSN=C3)C(=O)O)Cl)Cl)O

Isomeric SMILES

C1C2=CC(=C(C(=C2OC1(CC3=NSN=C3)C(=O)O)Cl)Cl)O

InChI

InChI=1S/C12H8Cl2N2O4S/c13-8-7(17)1-5-2-12(11(18)19,20-10(5)9(8)14)3-6-4-15-21-16-6/h1,4,17H,2-3H2,(H,18,19)