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

Systemtic Name: disodium 2-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)heptanoic acid Openeye Name: disodium 2-(5-thioxo-2H-tetrazol-1-yl)heptanoic acid CAS Name: disodium 2-(5-sulfanylidene-2H-tetrazol-1-yl)heptanoic acid IUPAC Name: disodium 2-(5-sulfanylidene-2H-tetrazol-1-yl)heptanoic acid Traditional Name: disodium 2-(5-thioxo-2H-tetrazol-1-yl)enanthic acid Formula: C8H14N4Na2O2S+2 MolecularWeight: 276.2669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14N4O2S.2Na/c1-2-3-4-5-6(7(13)14)12-8(15)9-10-11-12;;/h6H,2-5H2,1H3,(H,13,14)(H,9,11,15);;/q;2*+1