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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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