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

Systemtic Name: 5,7-bis(tert-butylsulfonyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5,7-bis(tert-butylsulfonyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 5,7-bis(tert-butylsulfonyl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5,7-bis(tert-butylsulfonyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 5,7-bis(tert-butylsulfonyl)-9-keto-xanthene-2-carboxylic acid Formula: C22H24O8S2 MolecularWeight: 480.55116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24O8S2/c1-21(2,3)31(26,27)13-10-15-18(23)14-9-12(20(24)25)7-8-16(14)30-19(15)17(11-13)32(28,29)22(4,5)6/h7-11H,1-6H3,(H,24,25)