sodium 5-butoxy-7-methylsulfonyl-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: sodium 5-butoxy-7-methylsulfonyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: sodium 5-butoxy-7-methylsulfonyl-9-oxo-xanthene-2-carboxylate CAS Name: sodium 5-butoxy-7-methylsulfonyl-9-oxo-2-xanthenecarboxylate IUPAC Name: sodium 5-butoxy-7-methylsulfonyl-9-oxoxanthene-2-carboxylate Traditional Name: sodium 5-butoxy-9-keto-7-mesyl-xanthene-2-carboxylate Formula: C19H17NaO7S MolecularWeight: 412.38885

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C2C(=CC(=C1)S(=O)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCOC1=C2C(=CC(=C1)S(=O)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C19H18O7S.Na/c1-3-4-7-25-16-10-12(27(2,23)24)9-14-17(20)13-8-11(19(21)22)5-6-15(13)26-18(14)16;/h5-6,8-10H,3-4,7H2,1-2H3,(H,21,22);/q;+1/p-1