2-[4-nitro-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoic acid

Systemtic Name: 2-[4-nitro-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoic acid Openeye Name: 2-(4-nitro-1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid CAS Name: 2-(4-nitro-1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid IUPAC Name: 2-(4-nitro-1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid Traditional Name: 2-(1,1,3-triketo-4-nitro-1,2-benzothiazol-2-yl)acetic acid Formula: C9H6N2O7S MolecularWeight: 286.21814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)S(=O)(=O)N(C2=O)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C(=C1)S(=O)(=O)N(C2=O)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H6N2O7S/c12-7(13)4-10-9(14)8-5(11(15)16)2-1-3-6(8)19(10,17)18/h1-3H,4H2,(H,12,13)