6-isothiocyanato-3-azabicyclo[3.1.0]hexane-3-sulfonic acid

Systemtic Name: 6-isothiocyanato-3-azabicyclo[3.1.0]hexane-3-sulfonic acid Openeye Name: 6-isothiocyanato-3-azabicyclo[3.1.0]hexane-3-sulfonic acid CAS Name: 6-isothiocyanato-3-azabicyclo[3.1.0]hexane-3-sulfonic acid IUPAC Name: 6-isothiocyanato-3-azabicyclo[3.1.0]hexane-3-sulfonic acid Traditional Name: 6-isothiocyanato-3-azabicyclo[3.1.0]hexane-3-sulfonic acid Formula: C6H8N2O3S2 MolecularWeight: 220.26932

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C2N=C=S)CN1S(=O)(=O)O

Isomeric SMILES

C1C2C(C2N=C=S)CN1S(=O)(=O)O

InChI

InChI=1S/C6H8N2O3S2/c9-13(10,11)8-1-4-5(2-8)6(4)7-3-12/h4-6H,1-2H2,(H,9,10,11)