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

Systemtic Name: 4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]butanoate Openeye Name: 4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoate CAS Name: 4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoate IUPAC Name: 4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,1,3-triketo-1,2-benzothiazol-2-yl)butyrate Formula: C11H10NO5S- MolecularWeight: 268.2658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO5S/c13-10(14)6-3-7-12-11(15)8-4-1-2-5-9(8)18(12,16)17/h1-2,4-5H,3,6-7H2,(H,13,14)/p-1