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

Systemtic Name: 5,7-bis(ethylsulfonyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5,7-bis(ethylsulfonyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 5,7-bis(ethylsulfonyl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5,7-bis(ethylsulfonyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 5,7-diesyl-9-keto-xanthene-2-carboxylic acid Formula: C18H16O8S2 MolecularWeight: 424.44484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O8S2/c1-3-27(22,23)11-8-13-16(19)12-7-10(18(20)21)5-6-14(12)26-17(13)15(9-11)28(24,25)4-2/h5-9H,3-4H2,1-2H3,(H,20,21)