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

Systemtic Name: sodium 5-cyclopentyloxy-7-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: sodium 5-(cyclopentoxy)-7-methylsulfinyl-9-oxo-xanthene-2-carboxylate CAS Name: sodium 5-cyclopentyloxy-7-methylsulfinyl-9-oxo-2-xanthenecarboxylate IUPAC Name: sodium 5-cyclopentyloxy-7-methylsulfinyl-9-oxoxanthene-2-carboxylate Traditional Name: sodium 5-(cyclopentoxy)-9-keto-7-methylsulfinyl-xanthene-2-carboxylate Formula: C20H17NaO6S MolecularWeight: 408.40015

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-])OC4CCCC4.[Na+]

Isomeric SMILES

CS(=O)C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-])OC4CCCC4.[Na+]

InChI

InChI=1S/C20H18O6S.Na/c1-27(24)13-9-15-18(21)14-8-11(20(22)23)6-7-16(14)26-19(15)17(10-13)25-12-4-2-3-5-12;/h6-10,12H,2-5H2,1H3,(H,22,23);/q;+1/p-1