Molecule ID: mol37630

SMILES: O=C(O)[C@H](c1ccccc1)S(=O)(=O)CCS(=O)(=O)[C@@H](C(=O)O)c1ccccc1

InChI: InChI=1S/C18H18O8S2/c19-17(20)15(13-7-3-1-4-8-13)27(23,24)11-12-28(25,26)16(18(21)22)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20)(H,21,22)/t15-,16+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.65 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization