1-(3H-1,2-benzothiazol-2-yl)cyclopentane-1,2-diolate

Systemtic Name: 1-(3H-1,2-benzothiazol-2-yl)cyclopentane-1,2-diolate Openeye Name: 1-(3H-1,2-benzothiazol-2-yl)cyclopentane-1,2-diolate CAS Name: 1-(3H-1,2-benzothiazol-2-yl)cyclopentane-1,2-diolate IUPAC Name: 1-(3H-1,2-benzothiazol-2-yl)cyclopentane-1,2-diolate Traditional Name: 1-(3H-1,2-benzothiazol-2-yl)cyclopentane-1,2-diolate Formula: C12H13NO2S-2 MolecularWeight: 235.30212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)(N2CC3=CC=CC=C3S2)[O-])[O-]

Isomeric SMILES

C1CC(C(C1)(N2CC3=CC=CC=C3S2)[O-])[O-]

InChI

InChI=1S/C12H13NO2S/c14-11-6-3-7-12(11,15)13-8-9-4-1-2-5-10(9)16-13/h1-2,4-5,11H,3,6-8H2/q-2