1,3-benzothiazol-3-ium; 2-iodanylethanoate

Systemtic Name: 1,3-benzothiazol-3-ium; 2-iodanylethanoate Openeye Name: 1,3-benzothiazol-3-ium; 2-iodoacetate CAS Name: 1,3-benzothiazol-3-ium; 2-iodoacetate IUPAC Name: 1,3-benzothiazol-3-ium; 2-iodoacetate Traditional Name: 1,3-benzothiazol-3-ium; 2-iodoacetate Formula: C9H8INO2S MolecularWeight: 321.13479

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[NH+]=CS2.C(C(=O)[O-])I

Isomeric SMILES

C1=CC=C2C(=C1)[NH+]=CS2.C(C(=O)[O-])I

InChI

InChI=1S/C7H5NS.C2H3IO2/c1-2-4-7-6(3-1)8-5-9-7;3-1-2(4)5/h1-5H;1H2,(H,4,5)