1,3-bis(butan-2-ylsulfonyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 1,3-bis(butan-2-ylsulfonyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 9-oxo-1,3-bis(sec-butylsulfonyl)xanthene-2-carboxylic acid CAS Name: 1,3-bis(butan-2-ylsulfonyl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 1,3-bis(butan-2-ylsulfonyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 9-keto-1,3-bis(sec-butylsulfonyl)xanthene-2-carboxylic acid Formula: C22H24O8S2 MolecularWeight: 480.55116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)S(=O)(=O)C1=C(C(=C2C(=C1)OC3=CC=CC=C3C2=O)S(=O)(=O)C(C)CC)C(=O)O

Isomeric SMILES

CCC(C)S(=O)(=O)C1=C(C(=C2C(=C1)OC3=CC=CC=C3C2=O)S(=O)(=O)C(C)CC)C(=O)O

InChI

InChI=1S/C22H24O8S2/c1-5-12(3)31(26,27)17-11-16-18(20(23)14-9-7-8-10-15(14)30-16)21(19(17)22(24)25)32(28,29)13(4)6-2/h7-13H,5-6H2,1-4H3,(H,24,25)