RInChI=1.00.1S/C10H10BrNO2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-4H,5-7H2!C12H24B2O4/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h1-8H3!C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1!N2/c1-2<>C16H22BNO4/c1-15(2)16(3,4)22-17(21-15)12-5-7-13(8-6-12)18-9-10-20-11-14(18)19/h5-8H,9-11H2,1-4H3<>2C17H14P.CH2Cl2.2ClH.Fe.Pd/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;2-1-3;;;;/h2*1-14H;1H2;2*1H;;/q2*-1;;;;2*+2/p-2!C4H8O2/c1-2-6-4-3-5-1/h1-4H2/d+
RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14/E:(1,2)(3,4)/rA:14CCCCCCCCCCBrNOO/rB:;s1;d2;;s5;;d1s2;d3s4;s7;s8;s5s9s10;d10;s6s7;/rC:;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18/E:(1,2,3,4,5,6,7,8)(9,10,11,12)(13,14)(15,16,17,18)/rA:18CCCCCCCCCCCCBBOOOO/rB:;;;;;;;s1s2;s3s4s9;s5s6;s7s8s11;;s13;s9s13;s10s13;s11s14;s12s14;/rC:;;;;;;;;;;;;;;;;;;!1/N:1,2,3,4;5/E:(3,4);/rA:5CCOO-K+/rB:s1;d2;s2;;/rC:;;;;;!0/N:1,2/E:(1,2)/rA:2NN/rB:t1;/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/E:(1,2,3,4)(5,6)(7,8)(15,16)(21,22)/rA:22CCCCCCCCCCCCCCCCBNOOOO/rB:;;;;;s5;d6;;s9;;d5s6;d7s8;s11;s1s2;s3s4s15;s12;s9s13s14;d14;s10s11;s15s17;s16s17;/rC:;;;;;;;;;;;;;;;;;;;;;;<>1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18;19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36;37,38,39;40;41;42;43/E:2*(1,2)(3,4,5,6)(7,8)(9,10,11,12)(13,14)(15,16);(2,3);;;;/CRV:2*14-1;;;;;/rA:43CCCCCCCCCCCCCC-CCCPCCCCCCCCCCCCCC-CCCPCClClCl-Cl-Fe+2Pd+2/rB:;d1;s1;d2;s2;;d7;s3;d4;s5;d6;s7;s8;d9s10;d11s12;d13s14;s15s16s17;;;d19;s19;d20;s20;;d25;s21;d22;s23;d24;s25;s26;d27s28;d29s30;d31s32;s33s34s35;;s37;s37;;;;;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6/E:(1,2,3,4)(5,6)/rA:6CCCCOO/rB:s1;;s3;s1s3;s2s4;/rC:;;;;;;
Long-RInChIKey=SA-FUHFF-SZMBYXUOLCRIIL-UHFFFAOYSA-N-IPWKHHSGDUIRAH-UHFFFAOYSA-N-SCVFZCLFOSHCOH-UHFFFAOYSA-M-IJGRMHOSHXDMSA-UHFFFAOYSA-N--SGYJVKVXQJBTCN-UHFFFAOYSA-N--SNRCKKQHDUIRIY-UHFFFAOYSA-L-RYHBNJHYFVUHQT-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-GCBSOXCKMH-SGYJVKVXQJ-KNROLGRULO-MUHFF-NUHFF-LUHFF-ZZZ
Web-RInChIKey=RYIMAPSRKHUUBMOEA-KUHFFFADPSCTJSA