potassium 1,3-benzothiazole-2-sulfonate hydrate

Systemtic Name: potassium 1,3-benzothiazole-2-sulfonate hydrate Openeye Name: potassium 1,3-benzothiazole-2-sulfonate hydrate CAS Name: potassium 1,3-benzothiazole-2-sulfonate hydrate IUPAC Name: potassium 1,3-benzothiazole-2-sulfonate hydrate Traditional Name: potassium 1,3-benzothiazole-2-sulfonate hydrate Formula: C7H6KNO4S2 MolecularWeight: 271.35514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)[O-].O.[K+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)[O-].O.[K+]

InChI

InChI=1S/C7H5NO3S2.K.H2O/c9-13(10,11)7-8-5-3-1-2-4-6(5)12-7;;/h1-4H,(H,9,10,11);;1H2/q;+1;/p-1