sodium 5-(3-methylbutoxy)-7-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: sodium 5-(3-methylbutoxy)-7-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: sodium 5-isopentyloxy-7-methylsulfinyl-9-oxo-xanthene-2-carboxylate CAS Name: sodium 5-(3-methylbutoxy)-7-methylsulfinyl-9-oxo-2-xanthenecarboxylate IUPAC Name: sodium 5-(3-methylbutoxy)-7-methylsulfinyl-9-oxoxanthene-2-carboxylate Traditional Name: sodium 5-isoamoxy-9-keto-7-methylsulfinyl-xanthene-2-carboxylate Formula: C20H19NaO6S MolecularWeight: 410.41603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C2C(=CC(=C1)S(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CCOC1=C2C(=CC(=C1)S(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C20H20O6S.Na/c1-11(2)6-7-25-17-10-13(27(3)24)9-15-18(21)14-8-12(20(22)23)4-5-16(14)26-19(15)17;/h4-5,8-11H,6-7H2,1-3H3,(H,22,23);/q;+1/p-1