4-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]benzoate

Systemtic Name: 4-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]benzoate Openeye Name: 4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoate CAS Name: 4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoate IUPAC Name: 4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoate Traditional Name: 4-[(1,1,3-triketo-1,2-benzothiazol-2-yl)methyl]benzoate Formula: C15H10NO5S- MolecularWeight: 316.3086

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(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C15H11NO5S/c17-14-12-3-1-2-4-13(12)22(20,21)16(14)9-10-5-7-11(8-6-10)15(18)19/h1-8H,9H2,(H,18,19)/p-1