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

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoic acid Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid CAS Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid Traditional Name: 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetic acid Formula: C9H7NO5S MolecularWeight: 241.22058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)O

InChI

InChI=1S/C9H7NO5S/c11-8(12)5-10-9(13)6-3-1-2-4-7(6)16(10,14)15/h1-4H,5H2,(H,11,12)