sodium 7-methylsulfinyl-9-oxidanylidene-5-propan-2-yloxy-xanthene-2-carboxylate

Systemtic Name: sodium 7-methylsulfinyl-9-oxidanylidene-5-propan-2-yloxy-xanthene-2-carboxylate Openeye Name: sodium 5-isopropoxy-7-methylsulfinyl-9-oxo-xanthene-2-carboxylate CAS Name: sodium 7-methylsulfinyl-9-oxo-5-propan-2-yloxy-2-xanthenecarboxylate IUPAC Name: sodium 7-methylsulfinyl-9-oxo-5-propan-2-yloxyxanthene-2-carboxylate Traditional Name: sodium 5-isopropoxy-9-keto-7-methylsulfinyl-xanthene-2-carboxylate Formula: C18H15NaO6S MolecularWeight: 382.36287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C2C(=CC(=C1)S(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)OC1=C2C(=CC(=C1)S(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H16O6S.Na/c1-9(2)23-15-8-11(25(3)22)7-13-16(19)12-6-10(18(20)21)4-5-14(12)24-17(13)15;/h4-9H,1-3H3,(H,20,21);/q;+1/p-1