Catalog Number:
AG01EZ95
Chemical Name:
4-Carboxy-2,6-bis(4-methoxy-3-sulfophenyl)pyridin-1-ium perchlorate
CAS Number:
91788-39-5
Molecular Formula:
C20H18ClNO14S2
Molecular Weight:
595.9382
MDL Number:
MFCD20277826
IUPAC Name:
2,6-bis(4-methoxy-3-sulfophenyl)pyridin-1-ium-4-carboxylic acid;perchlorate
InChI:
InChI=1S/C20H17NO10S2.ClHO4/c1-30-16-5-3-11(9-18(16)32(24,25)26)14-7-13(20(22)23)8-15(21-14)12-4-6-17(31-2)19(10-12)33(27,28)29;2-1(3,4)5/h3-10H,1-2H3,(H,22,23)(H,24,25,26)(H,27,28,29);(H,2,3,4,5)
InChI Key:
HXERYWWMXNTLJQ-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.COc1ccc(cc1S(=O)(=O)O)c1cc(cc([nH+]1)c1ccc(c(c1)S(=O)(=O)O)OC)C(=O)O
