sodium 1,3,3-tris(oxidanylidene)benzo[e][1,2]benzothiazole-4-carboxylate

Systemtic Name: sodium 1,3,3-tris(oxidanylidene)benzo[e][1,2]benzothiazole-4-carboxylate Openeye Name: sodium 1,3,3-trioxobenzo[e][1,2]benzothiazole-4-carboxylate CAS Name: sodium 1,3,3-trioxo-4-benzo[e][1,2]benzothiazolecarboxylate IUPAC Name: sodium 1,3,3-trioxobenzo[e][1,2]benzothiazole-4-carboxylate Traditional Name: sodium 1,3,3-triketobenzo[e][1,2]benzothiazole-4-carboxylate Formula: C12H6NNaO5S MolecularWeight: 299.23451

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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-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C3=C2C(=O)NS3(=O)=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C12H7NO5S.Na/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);/q;+1/p-1