5,7-bis(ethylsulfamoyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5,7-bis(ethylsulfamoyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5,7-bis(ethylsulfamoyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 5,7-bis(ethylsulfamoyl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5,7-bis(ethylsulfamoyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 5,7-bis(ethylsulfamoyl)-9-keto-xanthene-2-carboxylic acid Formula: C18H18N2O8S2 MolecularWeight: 454.47412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)NCC

Isomeric SMILES

CCNS(=O)(=O)C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)NCC

InChI

InChI=1S/C18H18N2O8S2/c1-3-19-29(24,25)11-8-13-16(21)12-7-10(18(22)23)5-6-14(12)28-17(13)15(9-11)30(26,27)20-4-2/h5-9,19-20H,3-4H2,1-2H3,(H,22,23)