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

Systemtic Name: 4-[5-(4-carboxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid Openeye Name: 4-[5-(4-carboxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid CAS Name: 4-[5-(4-carboxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid IUPAC Name: 4-[5-(4-carboxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid Traditional Name: 4-[5-(4-carboxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid Formula: C16H10N2O4S MolecularWeight: 326.3266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(S2)C3=CC=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(S2)C3=CC=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C16H10N2O4S/c19-15(20)11-5-1-9(2-6-11)13-17-18-14(23-13)10-3-7-12(8-4-10)16(21)22/h1-8H,(H,19,20)(H,21,22)