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

Systemtic Name: 3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoate Openeye Name: 3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate CAS Name: 3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate IUPAC Name: 3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionate Formula: C10H8NO5S- MolecularWeight: 254.23922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)[O-]

InChI

InChI=1S/C10H9NO5S/c12-9(13)5-6-11-10(14)7-3-1-2-4-8(7)17(11,15)16/h1-4H,5-6H2,(H,12,13)/p-1