5-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]furan-2-carboxylate Openeye Name: 5-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]furan-2-carboxylate CAS Name: 5-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]-2-furancarboxylate IUPAC Name: 5-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(1,1,3-triketo-1,2-benzothiazol-2-yl)methyl]-2-furoate Formula: C13H8NO6S- MolecularWeight: 306.27072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=CC=C(O3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=CC=C(O3)C(=O)[O-]

InChI

InChI=1S/C13H9NO6S/c15-12-9-3-1-2-4-11(9)21(18,19)14(12)7-8-5-6-10(20-8)13(16)17/h1-6H,7H2,(H,16,17)/p-1