RInChI=1.00.1S/C13H13BrN2O2/c1-2-18-13(17)9-5-8-6-10(14)3-4-11(8)16-12(15)7-9/h3-6H,2,7H2,1H3,(H2,15,16)!C7H6BF3O2/c9-7(10,11)5-3-1-2-4-6(5)8(12)13/h1-4,12-13H!C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3!CH2O3.2Cs/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2<>C20H17F3N2O2/c1-2-27-19(26)14-10-13-9-12(7-8-17(13)25-18(24)11-14)15-5-3-4-6-16(15)20(21,22)23/h3-10H,2,11H2,1H3,(H2,24,25)<>C2H6O/c1-2-3/h3H,2H2,1H3!C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3!H2O/h1H2/d+

RAuxInfo=1.00.1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18/rA:18CCCCCCCCCCCCCBrNNOO/rB:s1;;d3;;;;s5s6;d5s7;s3d6;s4d8;s7;s9;s10;d12;s11s12;d13;s2s13;/rC:;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9,10,11,12,13/E:(9,10,11)(12,13)/rA:13CCCCCCCBFFFOO/rB:d1;s1;s2;d3;d4s5;s5;s6;s7;s7;s7;s8;s8;/rC:;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7/E:(3,4)(5,6)/rA:7CCCCCCC/rB:;d2;s2;s3;d4;s1d5s6;/rC:;;;;;;;!1/N:1,2,3,4;5;6/E:(2,3,4);;/rA:6COO-O-Cs+Cs+/rB:d1;s1;s1;;;/rC:;;;;;;<>1/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:(21,22,23)/rA:27CCCCCCCCCCCCCCCCCCCCFFFNNOO/rB:s1;;d3;s3;s4;;d7;;;;s7d9;s9s10;d10s11;d5s12;d6s15;s8d13;s11;s14;s16;s20;s20;s20;d18;s17s18;d19;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3/rA:3CCO/rB:s1;s2;/rC:;;;!0/N:1,2,3,4,5,6/rA:6CCCCOO/rB:;s1;s2;d4;s3s4;/rC:;;;;;;!0/N:1/rA:1O/rB:/rC:;

Long-RInChIKey=SA-FUHFF-IXPNXVXHRMYNLR-UHFFFAOYSA-N-JNSBEPKGFVENFS-UHFFFAOYSA-N-YXFVVABEGXRONW-UHFFFAOYSA-N-FJDQFPXHSGXQBY-UHFFFAOYSA-L--FSLOWPRJWQVMEX-UHFFFAOYSA-N--LFQSCWFLJHTTHZ-UHFFFAOYSA-N-XEKOWRVHYACXOJ-UHFFFAOYSA-N-XLYOFNOQVPJJNP-UHFFFAOYSA-N

Short-RInChIKey=SA-FUHFF-TZMPBVLIOK-FSLOWPRJWQ-WIGKEQKGKO-LUHFF-NUHFF-NUHFF-ZZZ

Web-RInChIKey=CYEHAIAIDACMAXLES-LUHFFFADPSCTJSA