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

Systemtic Name: disodium 2-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)octanoic acid Openeye Name: disodium 2-(5-thioxo-2H-tetrazol-1-yl)octanoic acid CAS Name: disodium 2-(5-sulfanylidene-2H-tetrazol-1-yl)octanoic acid IUPAC Name: disodium 2-(5-sulfanylidene-2H-tetrazol-1-yl)octanoic acid Traditional Name: disodium 2-(5-thioxo-2H-tetrazol-1-yl)caprylic acid Formula: C9H16N4Na2O2S+2 MolecularWeight: 290.29348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N4O2S.2Na/c1-2-3-4-5-6-7(8(14)15)13-9(16)10-11-12-13;;/h7H,2-6H2,1H3,(H,14,15)(H,10,12,16);;/q;2*+1