RInChI=1.00.1S/C19H14F3N5O3/c1-11-23-17(25-27(11)10-12-3-2-4-14(28)9-12)18-24-16(26-30-18)13-5-7-15(8-6-13)29-19(20,21)22/h2-9,28H,10H2,1H3!C3H5BrO/c4-3-1-5-2-3/h3H,1-2H2!CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2!HI.Na/h1H;/q;+1/p-1<>C22H18F3N5O4/c1-13-26-20(28-30(13)10-14-3-2-4-17(9-14)32-18-11-31-12-18)21-27-19(29-34-21)15-5-7-16(8-6-15)33-22(23,24)25/h2-9,18H,10-12H2,1H3<>C3H7NO/c1-4(2)3-5/h3H,1-2H3!H2O/h1H2/d+
RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30/E:(5,6)(7,8)(20,21,22)/rA:30CCCCCCCCCCCCCCCCCCCFFFNNNNNOOO/rB:;d2;s2;;;s5;d6;;;s1;s3d9s10;d5s6;d4s9;d7s8;s13;;s17;;s19;s19;s19;d11s17;s16d18;d17;d16;s10s11s25;s14;s15s19;s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5/E:(1,2)/rA:5CCCBrO/rB:;s1s2;s3;s1s2;/rC:;;;;;!1/N:1,2,3,4;5;6/E:(2,3,4);;/rA:6COO-O-K+K+/rB:d1;s1;s1;;;/rC:;;;;;;!1/N:1;2/rA:2I-Na+/rB:;/rC:;;<>0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34/E:(5,6)(7,8)(11,12)(23,24,25)/rA:34CCCCCCCCCCCCCCCCCCCCCCFFFNNNNNOOOO/rB:;d2;s2;;;s5;d6;;;;;s1;s3d9s10;d5s6;d7s8;d4s9;s11s12;s15;;s20;;s22;s22;s22;d13s20;s19d21;d20;d19;s10s13s28;s11s12;s17s18;s16s22;s21s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5/E:(1,2)/rA:5CCCNO/rB:;;s1s2s3;d3;/rC:;;;;;!0/N:1/rA:1O/rB:/rC:;
Long-RInChIKey=SA-FUHFF-PHTIMEFMJPEZPT-UHFFFAOYSA-N-SZTIZZFKWQWSSP-UHFFFAOYSA-N-BWHMMNNQKKPAPP-UHFFFAOYSA-L-FVAUCKIRQBBSSJ-UHFFFAOYSA-M--GRCUEULBYCPOBL-UHFFFAOYSA-N--ZMXDDKWLCZADIW-UHFFFAOYSA-N-XLYOFNOQVPJJNP-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-RFRQDUMYDF-GRCUEULBYC-ZXNRYDSUCL-KUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=JUZYUYNDTNECRYNHH-KUHFFFADPSCTJSA