3-(5-sulfanyl-1,2,3,4-tetrazol-5-yl)phthalic acid

Systemtic Name: 3-(5-sulfanyl-1,2,3,4-tetrazol-5-yl)phthalic acid Openeye Name: 3-(5-sulfanyltetrazol-5-yl)phthalic acid CAS Name: 3-(5-mercapto-5-tetrazolyl)phthalic acid IUPAC Name: 3-(5-sulfanyltetrazol-5-yl)phthalic acid Traditional Name: 3-(5-mercaptotetrazol-5-yl)phthalic acid Formula: C9H6N4O4S MolecularWeight: 266.23334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C2(N=NN=N2)S)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)C2(N=NN=N2)S)C(=O)O)C(=O)O

InChI

InChI=1S/C9H6N4O4S/c14-7(15)4-2-1-3-5(6(4)8(16)17)9(18)10-12-13-11-9/h1-3,18H,(H,14,15)(H,16,17)