4-(2,1,3-benzothiadiazol-5-ylmethoxy)benzoic acid

Systemtic Name: 4-(2,1,3-benzothiadiazol-5-ylmethoxy)benzoic acid Openeye Name: 4-(2,1,3-benzothiadiazol-5-ylmethoxy)benzoic acid CAS Name: 4-(2,1,3-benzothiadiazol-5-ylmethoxy)benzoic acid IUPAC Name: 4-(2,1,3-benzothiadiazol-5-ylmethoxy)benzoic acid Traditional Name: 4-(piazthiol-5-ylmethoxy)benzoic acid Formula: C14H10N2O3S MolecularWeight: 286.3058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OCC2=CC3=NSN=C3C=C2

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OCC2=CC3=NSN=C3C=C2

InChI

InChI=1S/C14H10N2O3S/c17-14(18)10-2-4-11(5-3-10)19-8-9-1-6-12-13(7-9)16-20-15-12/h1-7H,8H2,(H,17,18)