CI 37210(101-89-3) IR1
Molecular FormulaC14H13N4.HO4S
Molecular Weight334.35
InChIInChI=1S/C14H13N4.H2O4S/c1-10-5-3-4-6-14(10)18-17-12-7-8-13(16-15)11(2)9-12;1-5(2,3)4/h3-9H,1-2H3;(H2,1,2,3,4)/q+1;/p-1/b18-17+;
InChIKey PPTXFSQSISUDAU-ZAGWXBKKSA-M
SmilesC1(C=CC([N+]#N)=C(C)C=1)/N=N/C1C=CC=CC=1C.S([O-])(=O)(=O)O
