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!C5H9BrO/c6-5-1-3-7-4-2-5/h5H,1-4H2!CH2O3.2Cs/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2<>C24H22F3N5O4/c1-15-28-22(23-29-21(31-36-23)17-5-7-19(8-6-17)35-24(25,26)27)30-32(15)14-16-3-2-4-20(13-16)34-18-9-11-33-12-10-18/h2-8,13,18H,9-12,14H2,1H3<>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:1,2,3,4,5,6,7/E:(1,2)(3,4)/rA:7CCCCCBrO/rB:;s1;s2;s1s2;s5;s3s4;/rC:;;;;;;;!1/N:1,2,3,4;5;6/E:(2,3,4);;/rA:6COO-O-Cs+Cs+/rB:d1;s1;s1;;;/rC:;;;;;;<>0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36/E:(5,6)(7,8)(9,10)(11,12)(25,26,27)/rA:36CCCCCCCCCCCCCCCCCCCCCCCCFFFNNNNNOOOO/rB:;d2;s2;;;s5;d6;;;s9;s10;;;s1;s3d13s14;d5s6;s9s10;d7s8;d4s13;s17;;s22;;s24;s24;s24;d15s22;s21d23;d22;d21;s14s15s30;s11s12;s18s20;s19s24;s23s31;/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-IVBVKTPDEWDNRW-UHFFFAOYSA-N-FJDQFPXHSGXQBY-UHFFFAOYSA-L--RRCRXDQGKGSZSJ-UHFFFAOYSA-N--ZMXDDKWLCZADIW-UHFFFAOYSA-N-XLYOFNOQVPJJNP-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-AUNKWKMQDW-RRCRXDQGKG-ZXNRYDSUCL-LUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=XLJOOEZRDUDSGMHKC-LUHFFFADPSCTJSA