RInChI=1.00.1S/C16H11ClF4N4/c17-12-6-4-10(15(18)22-12)9-3-5-11-14(13(9)16(19,20)21)23-24-25(11)7-8-1-2-8/h3-6,8H,1-2,7H2!C4H8O/c1-2-4-5-3-1/h1-4H2!CH2O3.2Cs/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2<>C18H14F4N4/c1-2-11-5-6-13(17(19)23-11)12-7-8-14-16(15(12)18(20,21)22)24-25-26(14)9-10-3-4-10/h2,5-8,10H,1,3-4,9H2<>2C12H27P.Pd/c2*1-10(2,3)13(11(4,5)6)12(7,8)9;/h2*1-9H3;!C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3/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/E:(1,2)(19,20,21)/rA:25CCCCCCCCCCCCCCCCClFFFFNNNN/rB:s1;;;d3;d4;;s1s2s7;s3;s4s9;s5;s6;d9;d11s13;d10;s13;s12;s15;s16;s16;s16;d12s15;s14;d23;s7s11s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5/E:(1,2)(3,4)/rA:5CCCCO/rB:s1;s1;s2;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/E:(3,4)(20,21,22)/rA:26CCCCCCCCCCCCCCCCCCFFFFNNNN/rB:d1;;s3;;d5;;d7;;s3s4s9;s2s5;s7;s6s12;s8;d12;d14s15;d13;s15;s17;s18;s18;s18;d11s17;s16;d24;s9s14s25;/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/E:2*(1,2,3,4,5,6,7,8,9)(10,11,12);/rA:27CCCCCCCCCCCCPCCCCCCCCCCCCPPd/rB:;;;;;;;;s1s2s3;s4s5s6;s7s8s9;s10s11s12;;;;;;;;;;s14s15s16;s17s18s19;s20s21s22;s23s24s25;;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6/rA:6CCCCOO/rB:;s1;s2;d4;s3s4;/rC:;;;;;;

Long-RInChIKey=SA-FUHFF-GPUYUMDMNNAEHW-UHFFFAOYSA-N-WYURNTSHIVDZCO-UHFFFAOYSA-N-FJDQFPXHSGXQBY-UHFFFAOYSA-L--NBJAYYJZQUSQOR-UHFFFAOYSA-N--MXQOYLRVSVOCQT-UHFFFAOYSA-N-XEKOWRVHYACXOJ-UHFFFAOYSA-N

Short-RInChIKey=SA-FUHFF-VRIVCWVDGH-NBJAYYJZQU-YZCFRECRFM-LUHFF-NUHFF-NUHFF-ZZZ

Web-RInChIKey=MPVBQYKXKMCDSSFUV-LUHFFFADPSCTJSA