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

Systemtic Name: 2-[4-azanyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoic acid Openeye Name: 2-(4-amino-1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid CAS Name: 2-(4-amino-1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid IUPAC Name: 2-(4-amino-1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid Traditional Name: 2-(4-amino-1,1,3-triketo-1,2-benzothiazol-2-yl)acetic acid Formula: C9H8N2O5S MolecularWeight: 256.23522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)S(=O)(=O)N(C2=O)CC(=O)O)N

Isomeric SMILES

C1=CC(=C2C(=C1)S(=O)(=O)N(C2=O)CC(=O)O)N

InChI

InChI=1S/C9H8N2O5S/c10-5-2-1-3-6-8(5)9(14)11(4-7(12)13)17(6,15)16/h1-3H,4,10H2,(H,12,13)