Molecular FormulaC21H19NO9S
Molecular Weight461.44186
InChIInChI=1S/C21H17NO5.H2O4S/c1-22(2)12-5-3-11(4-6-12)21-13-7-15(23)17(25)9-19(13)27-20-10-18(26)16(24)8-14(20)21;1-5(2,3)4/h3-10,23-25H,1-2H3;(H2,1,2,3,4)
InChIKey QEZUFUTYIOMXPI-UHFFFAOYSA-N
SmilesC1(C2=CC=C(N(C)C)C=C2)C2=C(C=C(O)C(O)=C2)OC2C=1C=C(O)C(=O)C=2.S(O)(O)(=O)=O
