3-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]benzoic acid

Systemtic Name: 3-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]benzoic acid Openeye Name: 3-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]benzoic acid CAS Name: 3-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]benzoic acid IUPAC Name: 3-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]benzoic acid Traditional Name: 3-(5-methylol-1,3,4-thiadiazol-2-yl)benzoic acid Formula: C10H8N2O3S MolecularWeight: 236.24712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=NN=C(S2)CO

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=NN=C(S2)CO

InChI

InChI=1S/C10H8N2O3S/c13-5-8-11-12-9(16-8)6-2-1-3-7(4-6)10(14)15/h1-4,13H,5H2,(H,14,15)