PINACRYPTOL YELLOW(25910-85-4) 1H NMR
Molecular FormulaC21H22N2O7S
Molecular Weight446.47
InChIInChI=1S/C20H19N2O3.CH4O4S/c1-3-25-19-11-12-20-16(14-19)8-10-17(21(20)2)9-7-15-5-4-6-18(13-15)22(23)24;1-5-6(2,3)4/h4-14H,3H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/b9-7+;
InChIKey ZXQHSPWBYMLHLB-BXTVWIJMSA-M
SmilesC12=CC=C(/C=C/C3C=CC=C([N+]([O-])=O)C=3)[N+](C)=C1C=CC(OCC)=C2.S([O-])(=O)(=O)OC