7-(methylsulfonimidoyl)-9-oxidanylidene-5-pentoxy-xanthene-2-carboxylic acid

Systemtic Name: 7-(methylsulfonimidoyl)-9-oxidanylidene-5-pentoxy-xanthene-2-carboxylic acid Openeye Name: 7-(methylsulfonimidoyl)-9-oxo-5-pentoxy-xanthene-2-carboxylic acid CAS Name: 7-(methylsulfonimidoyl)-9-oxo-5-pentoxy-2-xanthenecarboxylic acid IUPAC Name: 7-(methylsulfonimidoyl)-9-oxo-5-pentoxyxanthene-2-carboxylic acid Traditional Name: 5-amoxy-9-keto-7-(methylsulfonimidoyl)xanthene-2-carboxylic acid Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C2C(=CC(=C1)S(=N)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCCOC1=C2C(=CC(=C1)S(=N)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C20H21NO6S/c1-3-4-5-8-26-17-11-13(28(2,21)25)10-15-18(22)14-9-12(20(23)24)6-7-16(14)27-19(15)17/h6-7,9-11,21H,3-5,8H2,1-2H3,(H,23,24)