RInChI=1.00.1S/C12H15BrN2O/c1-7-5-11(14)10-6-9(13)3-4-12(10)15(7)8(2)16/h3-4,6-7,11H,5,14H2,1-2H3!C12H21BN2O3/c1-11(2)12(3,4)18-13(17-11)10-8-14-15(9-10)6-7-16-5/h8-9H,6-7H2,1-5H3!CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2!H2O/h1H2<>C18H24N4O2/c1-12-8-17(19)16-9-14(4-5-18(16)22(12)13(2)23)15-10-20-21(11-15)6-7-24-3/h4-5,9-12,17H,6-8,19H2,1-3H3<>2C17H14P.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;;;;/h2*1-14H;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:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16/rA:16CCCCCCCCCCCCBrNNO/rB:;;d3;;;s1s5;s2;s3d6;s6;s5s10;s4d10;s9;s11;s7s8s12;d8;/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)(11,12)(17,18)/rA:18CCCCCCCCCCCCBNNOOO/rB:;;;;;s6;;;s8d9;s1s2;s3s4s11;s10;d8;s6s9s14;s5s7;s11s13;s12s13;/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/rA:1O/rB:/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/rA:24CCCCCCCCCCCCCCCCCCNNNNOO/rB:;;;d4;;s6;;;;;s1s8;s2;s4d9;s10d11s14;s9;s8s16;s5d16;s17;d10;s6s11s20;s12s13s18;d13;s3s7;/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/E:2*(1,2)(3,4,5,6)(7,8)(9,10,11,12)(13,14)(15,16);;;;/CRV:2*14-1;;;;/rA:40CCCCCCCCCCCCCC-CCCPCCCCCCCCCCCCCC-CCCPCl-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;;;;;/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-JKSZYUAHROSYRE-UHFFFAOYSA-N-NZMICYAXDXTDJV-UHFFFAOYSA-N-BWHMMNNQKKPAPP-UHFFFAOYSA-L-XLYOFNOQVPJJNP-UHFFFAOYSA-N--VSZWZFDBHCIDQR-UHFFFAOYSA-N--NXQGGXCHGDYOHB-UHFFFAOYSA-L-RYHBNJHYFVUHQT-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-IQBBWBDKZQ-VSZWZFDBHC-DFTNCFFOZK-LUHFF-NUHFF-LUHFF-ZZZ
Web-RInChIKey=NUKDYKPVMCATLVKYF-JUHFFFADPSCTJSA