sodium 7-methylsulfinyl-9-oxidanylidene-5-pentoxy-xanthene-2-carboxylate

Systemtic Name: sodium 7-methylsulfinyl-9-oxidanylidene-5-pentoxy-xanthene-2-carboxylate Openeye Name: sodium 7-methylsulfinyl-9-oxo-5-pentoxy-xanthene-2-carboxylate CAS Name: sodium 7-methylsulfinyl-9-oxo-5-pentoxy-2-xanthenecarboxylate IUPAC Name: sodium 7-methylsulfinyl-9-oxo-5-pentoxyxanthene-2-carboxylate Traditional Name: sodium 5-amoxy-9-keto-7-methylsulfinyl-xanthene-2-carboxylate Formula: C20H19NaO6S MolecularWeight: 410.41603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C2C(=CC(=C1)S(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCCOC1=C2C(=CC(=C1)S(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C20H20O6S.Na/c1-3-4-5-8-25-17-11-13(27(2)24)10-15-18(21)14-9-12(20(22)23)6-7-16(14)26-19(15)17;/h6-7,9-11H,3-5,8H2,1-2H3,(H,22,23);/q;+1/p-1