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

Systemtic Name: methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxo-xanthene-2-carboxylate CAS Name: 5-hexyl-7-(methylsulfonimidoyl)-9-oxo-2-xanthenecarboxylic acid methyl ester IUPAC Name: methyl 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate Traditional Name: 5-hexyl-9-keto-7-(methylsulfonimidoyl)xanthene-2-carboxylic acid methyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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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)OC

Isomeric SMILES

CCCCCCC1=C2C(=CC(=C1)[S@@](=N)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H25NO5S/c1-4-5-6-7-8-14-11-16(29(3,23)26)13-18-20(24)17-12-15(22(25)27-2)9-10-19(17)28-21(14)18/h9-13,23H,4-8H2,1-3H3/t29-/m0/s1