potassium 5,7-bis(methylsulfonyl)-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: potassium 5,7-bis(methylsulfonyl)-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: potassium 5,7-bis(methylsulfonyl)-9-oxo-xanthene-2-carboxylate CAS Name: potassium 5,7-bis(methylsulfonyl)-9-oxo-2-xanthenecarboxylate IUPAC Name: potassium 5,7-bis(methylsulfonyl)-9-oxoxanthene-2-carboxylate Traditional Name: potassium 9-keto-5,7-dimesyl-xanthene-2-carboxylate Formula: C16H11KO8S2 MolecularWeight: 434.48204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-])S(=O)(=O)C.[K+]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-])S(=O)(=O)C.[K+]

InChI

InChI=1S/C16H12O8S2.K/c1-25(20,21)9-6-11-14(17)10-5-8(16(18)19)3-4-12(10)24-15(11)13(7-9)26(2,22)23;/h3-7H,1-2H3,(H,18,19);/q;+1/p-1