disodium 2-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)hexanoic acid

Systemtic Name: disodium 2-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)hexanoic acid Openeye Name: disodium 2-(5-thioxo-2H-tetrazol-1-yl)hexanoic acid CAS Name: disodium 2-(5-sulfanylidene-2H-tetrazol-1-yl)hexanoic acid IUPAC Name: disodium 2-(5-sulfanylidene-2H-tetrazol-1-yl)hexanoic acid Traditional Name: disodium 2-(5-thioxo-2H-tetrazol-1-yl)hexanoic acid Formula: C7H12N4Na2O2S+2 MolecularWeight: 262.24032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N1C(=S)N=NN1.[Na+].[Na+]

Isomeric SMILES

CCCCC(C(=O)O)N1C(=S)N=NN1.[Na+].[Na+]

InChI

InChI=1S/C7H12N4O2S.2Na/c1-2-3-4-5(6(12)13)11-7(14)8-9-10-11;;/h5H,2-4H2,1H3,(H,12,13)(H,8,10,14);;/q;2*+1