RInChI=1.00.1S/C18H16BNO2/c21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21-22H!C7H6Br2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3!CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2<>C25H20BrN/c1-19-18-21(14-17-25(19)26)20-12-15-24(16-13-20)27(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-18H,1H3<>C4H8O2.H2O/c1-2-6-4-3-5-1;/h1-4H2;1H2/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/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(16,17)(21,22)/rA:22CCCCCCCCCCCCCCCCCCBNOO/rB:;d1;s1;d2;s2;s3;d4;s5;d6;;;s11;d12;d11s12;d7s8;d9s10;d13s14;s15;s16s17s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9/rA:9CCCCCCCBrBr/rB:;s2;;s1d4;d2s4;d3s5;s6;s7;/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/E:(2,3)(4,5,6,7)(8,9,10,11)(12,13)(15,16)(22,23)/rA:27CCCCCCCCCCCCCCCCCCCCCCCCCBrN/rB:;;d2;s2;d3;s3;s4;d5;s6;d7;;;;s12;d13;s14;;s1d18;d12s13;d14s18s20;d8s9;d10s11;d15s16;d17s19;s25;s22s23s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5,6;7/E:(1,2,3,4)(5,6);/rA:7CCCCOOO/rB:s1;;s3;s1s3;s2s4;;/rC:;;;;;;;
Long-RInChIKey=SA-FUHFF-TWWQCBRELPOMER-UHFFFAOYSA-N-QKEZTJYRBHOKHH-UHFFFAOYSA-N-BWHMMNNQKKPAPP-UHFFFAOYSA-L--OTKPBJNIIXZJKK-UHFFFAOYSA-N--RNHDAKUGFHSZEV-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-WKLPEJGBMS-OTKPBJNIIX-RNHDAKUGFH-LUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=TXRSIBWKWSRLKHNKD-LUHFFFADPSCTJSA