2-(3-sulfanyl-2H-1,2,3,4-tetrazol-4-yl)terephthalic acid

Systemtic Name: 2-(3-sulfanyl-2H-1,2,3,4-tetrazol-4-yl)terephthalic acid Openeye Name: 2-(3-sulfanyl-2H-tetrazol-4-yl)terephthalic acid CAS Name: 2-(3-mercapto-2H-tetrazol-4-yl)terephthalic acid IUPAC Name: 2-(3-sulfanyl-2H-tetrazol-4-yl)terephthalic acid Traditional Name: 2-(3-mercapto-2H-tetrazol-4-yl)terephthalic acid Formula: C9H8N4O4S MolecularWeight: 268.24922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)N2C=NNN2S)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)N2C=NNN2S)C(=O)O

InChI

InChI=1S/C9H8N4O4S/c14-8(15)5-1-2-6(9(16)17)7(3-5)12-4-10-11-13(12)18/h1-4,11,18H,(H,14,15)(H,16,17)