sodium 5-hexyl-7-(methylsulfonimidoyl)-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: sodium 5-hexyl-7-(methylsulfonimidoyl)-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: sodium 5-hexyl-7-(methylsulfonimidoyl)-9-oxo-xanthene-2-carboxylate CAS Name: sodium 5-hexyl-7-(methylsulfonimidoyl)-9-oxo-2-xanthenecarboxylate IUPAC Name: sodium 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate Traditional Name: sodium 5-hexyl-9-keto-7-(methylsulfonimidoyl)xanthene-2-carboxylate Formula: C21H22NNaO5S MolecularWeight: 423.45785

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C(=CC(=C1)S(=N)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCC1=C2C(=CC(=C1)S(=N)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C21H23NO5S.Na/c1-3-4-5-6-7-13-10-15(28(2,22)26)12-17-19(23)16-11-14(21(24)25)8-9-18(16)27-20(13)17;/h8-12,22H,3-7H2,1-2H3,(H,24,25);/q;+1/p-1