RInChI=1.00.1S/3C4H9.C2H3.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H,2H2;!C19H13BrF3N5O2/c1-11-24-17(26-28(11)10-12-3-2-4-14(20)9-12)18-25-16(27-30-18)13-5-7-15(8-6-13)29-19(21,22)23/h2-9H,10H2,1H3!CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2<>C21H16F3N5O2/c1-3-14-5-4-6-15(11-14)12-29-13(2)25-19(27-29)20-26-18(28-31-20)16-7-9-17(10-8-16)30-21(22,23)24/h3-11H,1,12H2,2H3<>C4H8O2/c1-2-6-4-3-5-1/h1-4H2!H2O/h1H2/d+
RAuxInfo=1.00.1/0/N:1,2,3,4;5,6,7,8;9,10,11,12;13,14;15/CRV:3*1d;1d;/rA:15C.2CCCC.2CCCC.2CCCC.2CSn0/rB:;s1;s2s3;;;s5;s6s7;;;s9;s10s11;;d13;;/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/E:(5,6)(7,8)(21,22,23)/rA:30CCCCCCCCCCCCCCCCCCCBrFFFNNNNNOO/rB:;d2;s2;;;s5;d6;;;s1;s3d9s10;d5s6;d4s9;d7s8;s13;;s17;;s14;s19;s19;s19;d11s17;s16d18;d17;d16;s10s11s26;s15s19;s18s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!1/N:1,2,3,4;5;6/E:(2,3,4);;/rA:6COO-O-K+K+/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/E:(7,8)(9,10)(22,23,24)/rA:31CCCCCCCCCCCCCCCCCCCCCFFFNNNNNOO/rB:;d1;;d4;s4;;;s7;d8;;;s2;s3s5d11;d6s11s12;d7s8;d9s10;s16;;s19;;s21;s21;s21;d13s19;s18d20;d19;d18;s12s13s27;s17s21;s20s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5,6/E:(1,2,3,4)(5,6)/rA:6CCCCOO/rB:s1;;s3;s1s3;s2s4;/rC:;;;;;;!0/N:1/rA:1O/rB:/rC:;
Long-RInChIKey=SA-FUHFF-QIWRFOJWQSSRJZ-UHFFFAOYSA-N-WLHONMHYHZLRGA-UHFFFAOYSA-N-BWHMMNNQKKPAPP-UHFFFAOYSA-L--OVIFPUHPQTZVQZ-UHFFFAOYSA-N--RYHBNJHYFVUHQT-UHFFFAOYSA-N-XLYOFNOQVPJJNP-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-AGXYGOWNUV-OVIFPUHPQT-IEVYJNIMII-LUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=MLJGVFJAWRXQRNNFZ-LUHFFFADPSCTJSA