cyclohexanamine; 1-(5-sulfanylidene-1H-1,2,3,4-tetrazol-2-yl)ethanesulfonic acid

Systemtic Name: cyclohexanamine; 1-(5-sulfanylidene-1H-1,2,3,4-tetrazol-2-yl)ethanesulfonic acid Openeye Name: cyclohexanamine; 1-(5-thioxo-1H-tetrazol-2-yl)ethanesulfonic acid CAS Name: cyclohexanamine; 1-(5-sulfanylidene-1H-tetrazol-2-yl)ethanesulfonic acid IUPAC Name: cyclohexanamine; 1-(5-sulfanylidene-1H-tetrazol-2-yl)ethanesulfonic acid Traditional Name: cyclohexylamine; 1-(5-thioxo-1H-tetrazol-2-yl)ethanesulfonic acid Formula: C9H19N5O3S2 MolecularWeight: 309.40886

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1NC(=S)N=N1)S(=O)(=O)O.C1CCC(CC1)N

Isomeric SMILES

CC(N1NC(=S)N=N1)S(=O)(=O)O.C1CCC(CC1)N

InChI

InChI=1S/C6H13N.C3H6N4O3S2/c7-6-4-2-1-3-5-6;1-2(12(8,9)10)7-5-3(11)4-6-7/h6H,1-5,7H2;2H,1H3,(H,5,11)(H,8,9,10)