4-[4-(methoxymethyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[4-(methoxymethyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[4-(methoxymethyl)-5-thioxo-tetrazol-1-yl]benzenesulfonic acid CAS Name: 4-[4-(methoxymethyl)-5-sulfanylidene-1-tetrazolyl]benzenesulfonic acid IUPAC Name: 4-[4-(methoxymethyl)-5-sulfanylidenetetrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[4-(methoxymethyl)-5-thioxo-tetrazol-1-yl]besylic acid Formula: C9H10N4O4S2 MolecularWeight: 302.3301

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Descriptors Computed from Structure

Canonical SMILES:

COCN1C(=S)N(N=N1)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

COCN1C(=S)N(N=N1)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C9H10N4O4S2/c1-17-6-12-9(18)13(11-10-12)7-2-4-8(5-3-7)19(14,15)16/h2-5H,6H2,1H3,(H,14,15,16)