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

Systemtic Name: sodium 7-methylsulfinyl-9-oxidanylidene-5-propan-2-yl-xanthene-2-carboxylate Openeye Name: sodium 5-isopropyl-7-methylsulfinyl-9-oxo-xanthene-2-carboxylate CAS Name: sodium 7-methylsulfinyl-9-oxo-5-propan-2-yl-2-xanthenecarboxylate IUPAC Name: sodium 7-methylsulfinyl-9-oxo-5-propan-2-ylxanthene-2-carboxylate Traditional Name: sodium 5-isopropyl-9-keto-7-methylsulfinyl-xanthene-2-carboxylate Formula: C18H15NaO5S MolecularWeight: 366.36347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O5S.Na/c1-9(2)12-7-11(24(3)22)8-14-16(19)13-6-10(18(20)21)4-5-15(13)23-17(12)14;/h4-9H,1-3H3,(H,20,21);/q;+1/p-1