1,3,3-tris(oxidanylidene)benzo[e][1,2]benzothiazole-4-carboxylic acid

Systemtic Name: 1,3,3-tris(oxidanylidene)benzo[e][1,2]benzothiazole-4-carboxylic acid Openeye Name: 1,3,3-trioxobenzo[e][1,2]benzothiazole-4-carboxylic acid CAS Name: 1,3,3-trioxo-4-benzo[e][1,2]benzothiazolecarboxylic acid IUPAC Name: 1,3,3-trioxobenzo[e][1,2]benzothiazole-4-carboxylic acid Traditional Name: 1,3,3-triketobenzo[e][1,2]benzothiazole-4-carboxylic acid Formula: C12H7NO5S MolecularWeight: 277.25268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C3=C2C(=O)NS3(=O)=O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C3=C2C(=O)NS3(=O)=O)C(=O)O

InChI

InChI=1S/C12H7NO5S/c14-11-9-7-4-2-1-3-6(7)5-8(12(15)16)10(9)19(17,18)13-11/h1-5H,(H,13,14)(H,15,16)