3-methyl-1-(1,2,3,4-tetrazol-1-yl)butane-1-sulfonic acid

Systemtic Name: 3-methyl-1-(1,2,3,4-tetrazol-1-yl)butane-1-sulfonic acid Openeye Name: 3-methyl-1-(tetrazol-1-yl)butane-1-sulfonic acid CAS Name: 3-methyl-1-(1-tetrazolyl)-1-butanesulfonic acid IUPAC Name: 3-methyl-1-(tetrazol-1-yl)butane-1-sulfonic acid Traditional Name: 3-methyl-1-(tetrazol-1-yl)butane-1-sulfonic acid Formula: C6H12N4O3S MolecularWeight: 220.24948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(N1C=NN=N1)S(=O)(=O)O

Isomeric SMILES

CC(C)CC(N1C=NN=N1)S(=O)(=O)O

InChI

InChI=1S/C6H12N4O3S/c1-5(2)3-6(14(11,12)13)10-4-7-8-9-10/h4-6H,3H2,1-2H3,(H,11,12,13)