5-(methylsulfamoyl)-7-octoxy-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5-(methylsulfamoyl)-7-octoxy-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-(methylsulfamoyl)-7-octoxy-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-(methylsulfamoyl)-7-octoxy-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-(methylsulfamoyl)-7-octoxy-9-oxoxanthene-2-carboxylic acid Traditional Name: 9-keto-5-(methylsulfamoyl)-7-octoxy-xanthene-2-carboxylic acid Formula: C23H27NO7S MolecularWeight: 461.52798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)NC

Isomeric SMILES

CCCCCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)NC

InChI

InChI=1S/C23H27NO7S/c1-3-4-5-6-7-8-11-30-16-13-18-21(25)17-12-15(23(26)27)9-10-19(17)31-22(18)20(14-16)32(28,29)24-2/h9-10,12-14,24H,3-8,11H2,1-2H3,(H,26,27)